USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 920 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 GLN : amide:sc= -0.351 X(o=0.27,f=-0.019) USER MOD Set 1.2: A 58 SER OG : rot 91:sc= 0.624 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0.601 (180deg=0.596) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.09) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 1.92 (180deg=1.31) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.135 USER MOD Single : A 42 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.56) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -125:sc= 0 (180deg=-0.258) USER MOD Single : A 50 CYS SG : rot 29:sc= 1.21 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -140:sc= 1.88 (180deg=0.732!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 166:sc= 0.0336 USER MOD Single : A 65 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.032) USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 0.423 (180deg=0.408) USER MOD Single : A 77 SER OG : rot -130:sc= -0.106 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= -1.01 K(o=-1,f=-2.6!) USER MOD Single : B 70 LYS NZ :NH3+ 167:sc= -0.0632 (180deg=-0.338) USER MOD Single : B 75 THR OG1 : rot -68:sc= 0.717 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 7.515 12.384 -5.346 1.00 0.00 N ATOM 19 CA ALA A 2 8.921 12.132 -5.555 1.00 0.00 C ATOM 20 C ALA A 2 9.089 10.712 -6.040 1.00 0.00 C ATOM 21 O ALA A 2 9.902 10.413 -6.920 1.00 0.00 O ATOM 22 CB ALA A 2 9.674 12.325 -4.251 1.00 0.00 C ATOM 0 HA ALA A 2 9.319 12.825 -6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.735 12.134 -4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.538 13.348 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.290 11.631 -3.503 1.00 0.00 H new ATOM 28 N TYR A 3 8.289 9.850 -5.475 1.00 0.00 N ATOM 29 CA TYR A 3 8.312 8.450 -5.778 1.00 0.00 C ATOM 30 C TYR A 3 7.329 8.142 -6.862 1.00 0.00 C ATOM 31 O TYR A 3 6.266 8.756 -6.925 1.00 0.00 O ATOM 32 CB TYR A 3 7.962 7.636 -4.530 1.00 0.00 C ATOM 33 CG TYR A 3 8.996 7.692 -3.422 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.127 8.819 -2.622 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.841 6.619 -3.179 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.062 8.878 -1.615 1.00 0.00 C ATOM 37 CE2 TYR A 3 10.779 6.666 -2.168 1.00 0.00 C ATOM 38 CZ TYR A 3 10.886 7.799 -1.390 1.00 0.00 C ATOM 39 OH TYR A 3 11.802 7.848 -0.368 1.00 0.00 O ATOM 0 H TYR A 3 7.590 10.108 -4.778 1.00 0.00 H new ATOM 0 HA TYR A 3 9.314 8.184 -6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.010 7.992 -4.137 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.818 6.595 -4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.481 9.667 -2.794 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.763 5.733 -3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.149 9.765 -1.005 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.426 5.820 -1.987 1.00 0.00 H new ATOM 0 HH TYR A 3 12.306 7.008 -0.340 1.00 0.00 H new ATOM 49 N PHE A 4 7.696 7.234 -7.731 1.00 0.00 N ATOM 50 CA PHE A 4 6.790 6.753 -8.748 1.00 0.00 C ATOM 51 C PHE A 4 5.750 5.866 -8.077 1.00 0.00 C ATOM 52 O PHE A 4 5.931 5.453 -6.912 1.00 0.00 O ATOM 53 CB PHE A 4 7.536 5.947 -9.823 1.00 0.00 C ATOM 54 CG PHE A 4 8.649 6.693 -10.497 1.00 0.00 C ATOM 55 CD1 PHE A 4 8.375 7.696 -11.405 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.970 6.380 -10.231 1.00 0.00 C ATOM 57 CE1 PHE A 4 9.398 8.379 -12.030 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.999 7.056 -10.849 1.00 0.00 C ATOM 59 CZ PHE A 4 10.713 8.059 -11.754 1.00 0.00 C ATOM 0 H PHE A 4 8.623 6.809 -7.756 1.00 0.00 H new ATOM 0 HA PHE A 4 6.317 7.604 -9.238 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.944 5.046 -9.366 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.821 5.625 -10.580 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.349 7.949 -11.629 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.198 5.593 -9.527 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.170 9.164 -12.736 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.025 6.803 -10.627 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.515 8.591 -12.244 1.00 0.00 H new ATOM 69 N LEU A 5 4.690 5.560 -8.768 1.00 0.00 N ATOM 70 CA LEU A 5 3.673 4.749 -8.194 1.00 0.00 C ATOM 71 C LEU A 5 3.634 3.407 -8.897 1.00 0.00 C ATOM 72 O LEU A 5 3.681 3.339 -10.128 1.00 0.00 O ATOM 73 CB LEU A 5 2.330 5.471 -8.285 1.00 0.00 C ATOM 74 CG LEU A 5 1.121 4.742 -7.724 1.00 0.00 C ATOM 75 CD1 LEU A 5 1.295 4.423 -6.243 1.00 0.00 C ATOM 76 CD2 LEU A 5 -0.105 5.581 -7.937 1.00 0.00 C ATOM 0 H LEU A 5 4.514 5.862 -9.726 1.00 0.00 H new ATOM 0 HA LEU A 5 3.888 4.570 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.422 6.426 -7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.135 5.695 -9.334 1.00 0.00 H new ATOM 0 HG LEU A 5 1.015 3.793 -8.250 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.411 3.902 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.172 3.789 -6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.427 5.350 -5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.975 5.062 -7.536 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.015 6.536 -7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.246 5.755 -9.004 1.00 0.00 H new ATOM 88 N ASP A 6 3.594 2.359 -8.126 1.00 0.00 N ATOM 89 CA ASP A 6 3.525 0.997 -8.675 1.00 0.00 C ATOM 90 C ASP A 6 2.544 0.169 -7.890 1.00 0.00 C ATOM 91 O ASP A 6 2.330 0.416 -6.701 1.00 0.00 O ATOM 92 CB ASP A 6 4.892 0.282 -8.680 1.00 0.00 C ATOM 93 CG ASP A 6 5.640 0.363 -10.002 1.00 0.00 C ATOM 94 OD1 ASP A 6 5.352 -0.437 -10.897 1.00 0.00 O ATOM 95 OD2 ASP A 6 6.590 1.180 -10.141 1.00 0.00 O ATOM 0 H ASP A 6 3.607 2.402 -7.107 1.00 0.00 H new ATOM 0 HA ASP A 6 3.199 1.098 -9.710 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.516 0.712 -7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.740 -0.767 -8.426 1.00 0.00 H new ATOM 100 N PHE A 7 1.934 -0.788 -8.541 1.00 0.00 N ATOM 101 CA PHE A 7 0.992 -1.694 -7.891 1.00 0.00 C ATOM 102 C PHE A 7 1.203 -3.112 -8.331 1.00 0.00 C ATOM 103 O PHE A 7 1.531 -3.363 -9.479 1.00 0.00 O ATOM 104 CB PHE A 7 -0.462 -1.327 -8.189 1.00 0.00 C ATOM 105 CG PHE A 7 -0.985 -0.121 -7.492 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.596 -0.234 -6.259 1.00 0.00 C ATOM 107 CD2 PHE A 7 -0.901 1.111 -8.077 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.111 0.877 -5.625 1.00 0.00 C ATOM 109 CE2 PHE A 7 -1.404 2.219 -7.454 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.012 2.108 -6.228 1.00 0.00 C ATOM 0 H PHE A 7 2.069 -0.970 -9.536 1.00 0.00 H new ATOM 0 HA PHE A 7 1.181 -1.597 -6.822 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.565 -1.175 -9.263 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.092 -2.177 -7.926 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.671 -1.202 -5.786 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.431 1.211 -9.044 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.589 0.780 -4.661 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.323 3.186 -7.928 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.411 2.985 -5.739 1.00 0.00 H new ATOM 120 N ASP A 8 1.037 -4.019 -7.412 1.00 0.00 N ATOM 121 CA ASP A 8 1.026 -5.450 -7.699 1.00 0.00 C ATOM 122 C ASP A 8 -0.202 -5.782 -8.547 1.00 0.00 C ATOM 123 O ASP A 8 -1.249 -5.174 -8.357 1.00 0.00 O ATOM 124 CB ASP A 8 1.022 -6.233 -6.370 1.00 0.00 C ATOM 125 CG ASP A 8 0.386 -7.602 -6.462 1.00 0.00 C ATOM 126 OD1 ASP A 8 0.991 -8.529 -7.024 1.00 0.00 O ATOM 127 OD2 ASP A 8 -0.750 -7.751 -5.964 1.00 0.00 O ATOM 0 H ASP A 8 0.903 -3.797 -6.426 1.00 0.00 H new ATOM 0 HA ASP A 8 1.916 -5.735 -8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.049 -6.344 -6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.493 -5.648 -5.618 1.00 0.00 H new ATOM 132 N GLU A 9 -0.057 -6.714 -9.484 1.00 0.00 N ATOM 133 CA GLU A 9 -1.111 -7.121 -10.424 1.00 0.00 C ATOM 134 C GLU A 9 -2.432 -7.440 -9.682 1.00 0.00 C ATOM 135 O GLU A 9 -3.530 -7.083 -10.142 1.00 0.00 O ATOM 136 CB GLU A 9 -0.625 -8.359 -11.147 1.00 0.00 C ATOM 137 CG GLU A 9 -0.984 -8.463 -12.621 1.00 0.00 C ATOM 138 CD GLU A 9 -2.462 -8.563 -12.896 1.00 0.00 C ATOM 139 OE1 GLU A 9 -3.088 -9.592 -12.537 1.00 0.00 O ATOM 140 OE2 GLU A 9 -3.040 -7.625 -13.481 1.00 0.00 O ATOM 0 H GLU A 9 0.816 -7.223 -9.619 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.312 -6.308 -11.122 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.460 -8.405 -11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.026 -9.234 -10.635 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.588 -7.591 -13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.488 -9.338 -13.042 1.00 0.00 H new ATOM 147 N ARG A 10 -2.317 -8.090 -8.536 1.00 0.00 N ATOM 148 CA ARG A 10 -3.479 -8.425 -7.739 1.00 0.00 C ATOM 149 C ARG A 10 -4.001 -7.168 -7.028 1.00 0.00 C ATOM 150 O ARG A 10 -5.203 -6.975 -6.905 1.00 0.00 O ATOM 151 CB ARG A 10 -3.154 -9.517 -6.716 1.00 0.00 C ATOM 152 CG ARG A 10 -2.777 -10.881 -7.279 1.00 0.00 C ATOM 153 CD ARG A 10 -3.951 -11.546 -7.980 1.00 0.00 C ATOM 154 NE ARG A 10 -5.150 -11.582 -7.122 1.00 0.00 N ATOM 155 CZ ARG A 10 -5.709 -12.669 -6.579 1.00 0.00 C ATOM 156 NH1 ARG A 10 -5.134 -13.859 -6.702 1.00 0.00 N ATOM 157 NH2 ARG A 10 -6.836 -12.544 -5.879 1.00 0.00 N ATOM 0 H ARG A 10 -1.429 -8.395 -8.139 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.252 -8.811 -8.404 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.333 -9.166 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.019 -9.643 -6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.951 -10.769 -7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.425 -11.523 -6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.178 -11.007 -8.900 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.677 -12.562 -8.265 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.598 -10.688 -6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.257 -13.951 -7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.569 -14.681 -6.284 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.264 -11.626 -5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.270 -13.367 -5.461 1.00 0.00 H new ATOM 171 N ALA A 11 -3.079 -6.306 -6.584 1.00 0.00 N ATOM 172 CA ALA A 11 -3.408 -5.028 -5.921 1.00 0.00 C ATOM 173 C ALA A 11 -4.284 -4.137 -6.802 1.00 0.00 C ATOM 174 O ALA A 11 -5.142 -3.414 -6.294 1.00 0.00 O ATOM 175 CB ALA A 11 -2.152 -4.284 -5.482 1.00 0.00 C ATOM 0 H ALA A 11 -2.076 -6.472 -6.673 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.982 -5.277 -5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.434 -3.349 -4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.590 -4.901 -4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.533 -4.070 -6.353 1.00 0.00 H new ATOM 181 N LEU A 12 -4.085 -4.205 -8.126 1.00 0.00 N ATOM 182 CA LEU A 12 -4.951 -3.477 -9.073 1.00 0.00 C ATOM 183 C LEU A 12 -6.411 -3.888 -8.891 1.00 0.00 C ATOM 184 O LEU A 12 -7.325 -3.056 -8.851 1.00 0.00 O ATOM 185 CB LEU A 12 -4.539 -3.693 -10.559 1.00 0.00 C ATOM 186 CG LEU A 12 -3.352 -2.873 -11.119 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.032 -3.354 -10.602 1.00 0.00 C ATOM 188 CD2 LEU A 12 -3.365 -2.883 -12.634 1.00 0.00 C ATOM 0 H LEU A 12 -3.342 -4.749 -8.565 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.829 -2.418 -8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.303 -4.749 -10.688 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.410 -3.483 -11.179 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.479 -1.848 -10.769 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.232 -2.746 -11.025 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.015 -3.271 -9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.886 -4.395 -10.889 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.523 -2.301 -13.009 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.285 -3.909 -12.992 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.297 -2.445 -12.993 1.00 0.00 H new ATOM 200 N LYS A 13 -6.604 -5.158 -8.683 1.00 0.00 N ATOM 201 CA LYS A 13 -7.931 -5.733 -8.597 1.00 0.00 C ATOM 202 C LYS A 13 -8.507 -5.444 -7.211 1.00 0.00 C ATOM 203 O LYS A 13 -9.723 -5.395 -7.017 1.00 0.00 O ATOM 204 CB LYS A 13 -7.838 -7.254 -8.844 1.00 0.00 C ATOM 205 CG LYS A 13 -6.886 -7.629 -9.993 1.00 0.00 C ATOM 206 CD LYS A 13 -7.285 -6.971 -11.301 1.00 0.00 C ATOM 207 CE LYS A 13 -6.120 -6.912 -12.282 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.606 -8.237 -12.664 1.00 0.00 N ATOM 0 H LYS A 13 -5.848 -5.833 -8.567 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.587 -5.296 -9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.502 -7.743 -7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.833 -7.640 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.870 -7.332 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.879 -8.712 -10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.110 -7.524 -11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.647 -5.962 -11.105 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.438 -6.382 -13.180 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.311 -6.331 -11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.795 -8.123 -13.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.304 -8.751 -11.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.355 -8.774 -13.146 1.00 0.00 H new ATOM 222 N GLU A 14 -7.612 -5.186 -6.273 1.00 0.00 N ATOM 223 CA GLU A 14 -7.961 -4.924 -4.894 1.00 0.00 C ATOM 224 C GLU A 14 -8.687 -3.597 -4.705 1.00 0.00 C ATOM 225 O GLU A 14 -9.501 -3.473 -3.824 1.00 0.00 O ATOM 226 CB GLU A 14 -6.742 -4.920 -4.008 1.00 0.00 C ATOM 227 CG GLU A 14 -5.975 -6.237 -3.885 1.00 0.00 C ATOM 228 CD GLU A 14 -6.799 -7.437 -3.460 1.00 0.00 C ATOM 229 OE1 GLU A 14 -7.778 -7.302 -2.706 1.00 0.00 O ATOM 230 OE2 GLU A 14 -6.432 -8.558 -3.854 1.00 0.00 O ATOM 0 H GLU A 14 -6.609 -5.153 -6.454 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.633 -5.734 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.055 -4.160 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.049 -4.611 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.512 -6.459 -4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.167 -6.101 -3.166 1.00 0.00 H new ATOM 237 N TRP A 15 -8.384 -2.604 -5.498 1.00 0.00 N ATOM 238 CA TRP A 15 -9.092 -1.334 -5.321 1.00 0.00 C ATOM 239 C TRP A 15 -10.334 -1.298 -6.183 1.00 0.00 C ATOM 240 O TRP A 15 -11.311 -0.594 -5.892 1.00 0.00 O ATOM 241 CB TRP A 15 -8.207 -0.070 -5.569 1.00 0.00 C ATOM 242 CG TRP A 15 -7.869 0.268 -7.019 1.00 0.00 C ATOM 243 CD1 TRP A 15 -8.704 0.822 -7.964 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.600 0.138 -7.661 1.00 0.00 C ATOM 245 NE1 TRP A 15 -8.033 1.010 -9.137 1.00 0.00 N ATOM 246 CE2 TRP A 15 -6.746 0.603 -8.983 1.00 0.00 C ATOM 247 CE3 TRP A 15 -5.360 -0.332 -7.258 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -5.701 0.616 -9.890 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -4.325 -0.317 -8.165 1.00 0.00 C ATOM 250 CH2 TRP A 15 -4.502 0.152 -9.465 1.00 0.00 C ATOM 0 H TRP A 15 -7.688 -2.628 -6.243 1.00 0.00 H new ATOM 0 HA TRP A 15 -9.375 -1.291 -4.269 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.714 0.789 -5.131 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.271 -0.200 -5.025 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -9.742 1.072 -7.800 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.434 1.395 -9.993 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.209 -0.702 -6.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.836 0.982 -10.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.353 -0.677 -7.862 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -3.665 0.145 -10.148 1.00 0.00 H new ATOM 261 N ARG A 16 -10.307 -2.068 -7.237 1.00 0.00 N ATOM 262 CA ARG A 16 -11.405 -2.086 -8.182 1.00 0.00 C ATOM 263 C ARG A 16 -12.618 -2.786 -7.617 1.00 0.00 C ATOM 264 O ARG A 16 -13.753 -2.411 -7.907 1.00 0.00 O ATOM 265 CB ARG A 16 -10.977 -2.686 -9.509 1.00 0.00 C ATOM 266 CG ARG A 16 -9.891 -1.878 -10.176 1.00 0.00 C ATOM 267 CD ARG A 16 -9.557 -2.377 -11.570 1.00 0.00 C ATOM 268 NE ARG A 16 -10.750 -2.477 -12.461 1.00 0.00 N ATOM 269 CZ ARG A 16 -10.700 -2.644 -13.801 1.00 0.00 C ATOM 270 NH1 ARG A 16 -9.537 -2.673 -14.427 1.00 0.00 N ATOM 271 NH2 ARG A 16 -11.820 -2.782 -14.503 1.00 0.00 N ATOM 0 H ARG A 16 -9.537 -2.695 -7.469 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.694 -1.052 -8.368 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.623 -3.704 -9.348 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.840 -2.749 -10.172 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.204 -0.835 -10.234 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.992 -1.907 -9.560 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.828 -1.706 -12.024 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.085 -3.357 -11.495 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.671 -2.415 -12.027 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.671 -2.569 -13.899 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.505 -2.799 -15.439 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.724 -2.762 -14.031 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.776 -2.908 -15.514 1.00 0.00 H new ATOM 285 N LYS A 17 -12.375 -3.766 -6.791 1.00 0.00 N ATOM 286 CA LYS A 17 -13.430 -4.536 -6.144 1.00 0.00 C ATOM 287 C LYS A 17 -14.220 -3.712 -5.116 1.00 0.00 C ATOM 288 O LYS A 17 -15.434 -3.893 -4.964 1.00 0.00 O ATOM 289 CB LYS A 17 -12.815 -5.719 -5.400 1.00 0.00 C ATOM 290 CG LYS A 17 -11.722 -5.270 -4.445 1.00 0.00 C ATOM 291 CD LYS A 17 -11.355 -6.267 -3.382 1.00 0.00 C ATOM 292 CE LYS A 17 -10.784 -7.536 -3.978 1.00 0.00 C ATOM 293 NZ LYS A 17 -10.185 -8.408 -2.953 1.00 0.00 N ATOM 0 H LYS A 17 -11.433 -4.065 -6.538 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.109 -4.857 -6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.592 -6.244 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.403 -6.428 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.829 -5.035 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.041 -4.347 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.626 -5.824 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.237 -6.508 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.573 -8.078 -4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.029 -7.279 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.991 -9.344 -3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.296 -7.987 -2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.844 -8.510 -2.155 1.00 0.00 H new ATOM 307 N LEU A 18 -13.543 -2.807 -4.451 1.00 0.00 N ATOM 308 CA LEU A 18 -14.089 -2.173 -3.284 1.00 0.00 C ATOM 309 C LEU A 18 -14.824 -0.849 -3.567 1.00 0.00 C ATOM 310 O LEU A 18 -14.860 -0.370 -4.714 1.00 0.00 O ATOM 311 CB LEU A 18 -12.998 -2.076 -2.183 1.00 0.00 C ATOM 312 CG LEU A 18 -11.660 -1.386 -2.546 1.00 0.00 C ATOM 313 CD1 LEU A 18 -11.796 0.109 -2.739 1.00 0.00 C ATOM 314 CD2 LEU A 18 -10.602 -1.691 -1.512 1.00 0.00 C ATOM 0 H LEU A 18 -12.606 -2.494 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.889 -2.808 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.427 -1.546 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.772 -3.088 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.352 -1.799 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.824 0.533 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.500 0.309 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.162 0.563 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.671 -1.196 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.931 -1.330 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.440 -2.768 -1.464 1.00 0.00 H new ATOM 326 N GLY A 19 -15.429 -0.294 -2.519 1.00 0.00 N ATOM 327 CA GLY A 19 -16.179 0.948 -2.606 1.00 0.00 C ATOM 328 C GLY A 19 -15.343 2.142 -3.057 1.00 0.00 C ATOM 329 O GLY A 19 -14.192 2.315 -2.630 1.00 0.00 O ATOM 0 H GLY A 19 -15.410 -0.699 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.008 0.813 -3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.614 1.168 -1.631 1.00 0.00 H new ATOM 333 N SER A 20 -15.936 2.977 -3.883 1.00 0.00 N ATOM 334 CA SER A 20 -15.271 4.127 -4.466 1.00 0.00 C ATOM 335 C SER A 20 -14.804 5.121 -3.380 1.00 0.00 C ATOM 336 O SER A 20 -13.696 5.650 -3.452 1.00 0.00 O ATOM 337 CB SER A 20 -16.203 4.787 -5.497 1.00 0.00 C ATOM 338 OG SER A 20 -15.594 5.880 -6.158 1.00 0.00 O ATOM 0 H SER A 20 -16.908 2.876 -4.174 1.00 0.00 H new ATOM 0 HA SER A 20 -14.369 3.796 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.507 4.044 -6.235 1.00 0.00 H new ATOM 0 HB3 SER A 20 -17.109 5.129 -4.996 1.00 0.00 H new ATOM 0 HG SER A 20 -16.224 6.264 -6.803 1.00 0.00 H new ATOM 344 N THR A 21 -15.623 5.301 -2.344 1.00 0.00 N ATOM 345 CA THR A 21 -15.308 6.191 -1.224 1.00 0.00 C ATOM 346 C THR A 21 -13.999 5.751 -0.521 1.00 0.00 C ATOM 347 O THR A 21 -13.192 6.567 -0.080 1.00 0.00 O ATOM 348 CB THR A 21 -16.476 6.144 -0.221 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.707 6.380 -0.931 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.316 7.189 0.881 1.00 0.00 C ATOM 0 H THR A 21 -16.525 4.834 -2.256 1.00 0.00 H new ATOM 0 HA THR A 21 -15.167 7.205 -1.598 1.00 0.00 H new ATOM 0 HB THR A 21 -16.486 5.162 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.458 6.351 -0.302 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.159 7.125 1.569 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.389 7.005 1.425 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.285 8.184 0.437 1.00 0.00 H new ATOM 358 N VAL A 22 -13.791 4.453 -0.474 1.00 0.00 N ATOM 359 CA VAL A 22 -12.623 3.879 0.147 1.00 0.00 C ATOM 360 C VAL A 22 -11.385 4.172 -0.697 1.00 0.00 C ATOM 361 O VAL A 22 -10.370 4.638 -0.183 1.00 0.00 O ATOM 362 CB VAL A 22 -12.793 2.344 0.353 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.545 1.720 0.960 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.003 2.054 1.232 1.00 0.00 C ATOM 0 H VAL A 22 -14.432 3.765 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.498 4.335 1.129 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.950 1.896 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.700 0.649 1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.696 1.886 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.344 2.177 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.106 0.977 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.869 2.529 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.901 2.449 0.757 1.00 0.00 H new ATOM 374 N ARG A 23 -11.494 3.958 -2.000 1.00 0.00 N ATOM 375 CA ARG A 23 -10.357 4.161 -2.883 1.00 0.00 C ATOM 376 C ARG A 23 -9.981 5.624 -3.070 1.00 0.00 C ATOM 377 O ARG A 23 -8.832 5.929 -3.386 1.00 0.00 O ATOM 378 CB ARG A 23 -10.483 3.400 -4.205 1.00 0.00 C ATOM 379 CG ARG A 23 -11.662 3.747 -5.068 1.00 0.00 C ATOM 380 CD ARG A 23 -11.711 2.799 -6.252 1.00 0.00 C ATOM 381 NE ARG A 23 -12.882 3.007 -7.099 1.00 0.00 N ATOM 382 CZ ARG A 23 -13.638 2.024 -7.609 1.00 0.00 C ATOM 383 NH1 ARG A 23 -13.402 0.750 -7.287 1.00 0.00 N ATOM 384 NH2 ARG A 23 -14.634 2.313 -8.431 1.00 0.00 N ATOM 0 H ARG A 23 -12.348 3.648 -2.464 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.509 3.716 -2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.575 3.569 -4.784 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.525 2.334 -3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.584 3.675 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.583 4.777 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.809 2.926 -6.850 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.710 1.771 -5.888 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.143 3.968 -7.318 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.641 0.518 -6.648 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.982 0.009 -7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.827 3.284 -8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.209 1.565 -8.819 1.00 0.00 H new ATOM 398 N GLU A 24 -10.926 6.530 -2.863 1.00 0.00 N ATOM 399 CA GLU A 24 -10.596 7.949 -2.891 1.00 0.00 C ATOM 400 C GLU A 24 -9.698 8.292 -1.721 1.00 0.00 C ATOM 401 O GLU A 24 -8.711 9.023 -1.871 1.00 0.00 O ATOM 402 CB GLU A 24 -11.830 8.835 -2.878 1.00 0.00 C ATOM 403 CG GLU A 24 -12.661 8.752 -4.135 1.00 0.00 C ATOM 404 CD GLU A 24 -13.785 9.747 -4.123 1.00 0.00 C ATOM 405 OE1 GLU A 24 -13.573 10.917 -4.539 1.00 0.00 O ATOM 406 OE2 GLU A 24 -14.910 9.390 -3.711 1.00 0.00 O ATOM 0 H GLU A 24 -11.906 6.316 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.074 8.141 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.452 8.561 -2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.520 9.869 -2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.027 8.930 -5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.067 7.746 -4.237 1.00 0.00 H new ATOM 413 N GLN A 25 -10.018 7.719 -0.560 1.00 0.00 N ATOM 414 CA GLN A 25 -9.221 7.911 0.648 1.00 0.00 C ATOM 415 C GLN A 25 -7.842 7.318 0.442 1.00 0.00 C ATOM 416 O GLN A 25 -6.834 7.879 0.881 1.00 0.00 O ATOM 417 CB GLN A 25 -9.888 7.259 1.857 1.00 0.00 C ATOM 418 CG GLN A 25 -11.259 7.808 2.177 1.00 0.00 C ATOM 419 CD GLN A 25 -11.891 7.130 3.368 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.702 7.541 4.509 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.680 6.127 3.112 1.00 0.00 N ATOM 0 H GLN A 25 -10.830 7.114 -0.433 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.139 8.981 0.841 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.971 6.187 1.678 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.244 7.389 2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.182 8.878 2.371 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.907 7.687 1.309 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.812 5.814 2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.167 5.654 3.873 1.00 0.00 H new ATOM 430 N LEU A 26 -7.807 6.197 -0.256 1.00 0.00 N ATOM 431 CA LEU A 26 -6.564 5.528 -0.582 1.00 0.00 C ATOM 432 C LEU A 26 -5.685 6.405 -1.450 1.00 0.00 C ATOM 433 O LEU A 26 -4.506 6.497 -1.216 1.00 0.00 O ATOM 434 CB LEU A 26 -6.811 4.190 -1.267 1.00 0.00 C ATOM 435 CG LEU A 26 -7.558 3.138 -0.451 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.773 1.907 -1.283 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.785 2.783 0.811 1.00 0.00 C ATOM 0 H LEU A 26 -8.639 5.727 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.046 5.337 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.372 4.374 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.848 3.774 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.524 3.550 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.306 1.160 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.360 2.162 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.809 1.504 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.337 2.032 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.807 2.387 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.657 3.676 1.423 1.00 0.00 H new ATOM 449 N LYS A 27 -6.278 7.087 -2.426 1.00 0.00 N ATOM 450 CA LYS A 27 -5.515 7.985 -3.294 1.00 0.00 C ATOM 451 C LYS A 27 -4.984 9.196 -2.520 1.00 0.00 C ATOM 452 O LYS A 27 -3.959 9.780 -2.886 1.00 0.00 O ATOM 453 CB LYS A 27 -6.312 8.426 -4.527 1.00 0.00 C ATOM 454 CG LYS A 27 -6.639 7.298 -5.506 1.00 0.00 C ATOM 455 CD LYS A 27 -7.330 7.813 -6.776 1.00 0.00 C ATOM 456 CE LYS A 27 -6.436 8.782 -7.554 1.00 0.00 C ATOM 457 NZ LYS A 27 -7.070 9.278 -8.796 1.00 0.00 N ATOM 0 H LYS A 27 -7.275 7.038 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.660 7.413 -3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.244 8.885 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.747 9.195 -5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.720 6.779 -5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.283 6.568 -5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.594 6.970 -7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.261 8.313 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.186 9.630 -6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.499 8.284 -7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.339 9.655 -9.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.569 8.497 -9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.748 10.032 -8.563 1.00 0.00 H new ATOM 471 N LYS A 28 -5.680 9.566 -1.455 1.00 0.00 N ATOM 472 CA LYS A 28 -5.225 10.636 -0.566 1.00 0.00 C ATOM 473 C LYS A 28 -3.991 10.178 0.208 1.00 0.00 C ATOM 474 O LYS A 28 -3.031 10.928 0.397 1.00 0.00 O ATOM 475 CB LYS A 28 -6.342 11.066 0.416 1.00 0.00 C ATOM 476 CG LYS A 28 -7.248 12.263 0.009 1.00 0.00 C ATOM 477 CD LYS A 28 -8.073 12.084 -1.279 1.00 0.00 C ATOM 478 CE LYS A 28 -7.237 12.243 -2.538 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.058 12.215 -3.766 1.00 0.00 N ATOM 0 H LYS A 28 -6.566 9.142 -1.181 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.968 11.500 -1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.985 10.203 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.873 11.310 1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.935 12.467 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.618 13.145 -0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.534 11.096 -1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.883 12.813 -1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.690 13.185 -2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.495 11.445 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.443 12.327 -4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.561 11.307 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.749 12.992 -3.739 1.00 0.00 H new ATOM 493 N LYS A 29 -4.005 8.934 0.617 1.00 0.00 N ATOM 494 CA LYS A 29 -2.893 8.365 1.351 1.00 0.00 C ATOM 495 C LYS A 29 -1.706 8.147 0.430 1.00 0.00 C ATOM 496 O LYS A 29 -0.561 8.261 0.831 1.00 0.00 O ATOM 497 CB LYS A 29 -3.304 7.062 2.039 1.00 0.00 C ATOM 498 CG LYS A 29 -4.433 7.233 3.046 1.00 0.00 C ATOM 499 CD LYS A 29 -4.052 8.228 4.132 1.00 0.00 C ATOM 500 CE LYS A 29 -5.180 8.445 5.113 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.818 9.447 6.135 1.00 0.00 N ATOM 0 H LYS A 29 -4.778 8.289 0.455 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.595 9.070 2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.611 6.342 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.437 6.640 2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.332 7.575 2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.670 6.270 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.172 7.867 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.780 9.179 3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.071 8.774 4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.429 7.501 5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.613 9.574 6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.982 9.121 6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.604 10.353 5.672 1.00 0.00 H new ATOM 515 N LEU A 30 -1.993 7.880 -0.808 1.00 0.00 N ATOM 516 CA LEU A 30 -0.975 7.672 -1.790 1.00 0.00 C ATOM 517 C LEU A 30 -0.313 8.977 -2.190 1.00 0.00 C ATOM 518 O LEU A 30 0.881 9.018 -2.416 1.00 0.00 O ATOM 519 CB LEU A 30 -1.516 6.932 -3.009 1.00 0.00 C ATOM 520 CG LEU A 30 -1.996 5.496 -2.765 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.618 4.920 -4.021 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.842 4.615 -2.297 1.00 0.00 C ATOM 0 H LEU A 30 -2.945 7.800 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.211 7.041 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.346 7.507 -3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.737 6.909 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.754 5.521 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.952 3.901 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.470 5.531 -4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.879 4.913 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.204 3.600 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.063 4.601 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.434 5.013 -1.368 1.00 0.00 H new ATOM 534 N VAL A 31 -1.070 10.059 -2.224 1.00 0.00 N ATOM 535 CA VAL A 31 -0.491 11.335 -2.612 1.00 0.00 C ATOM 536 C VAL A 31 0.442 11.872 -1.515 1.00 0.00 C ATOM 537 O VAL A 31 1.339 12.675 -1.786 1.00 0.00 O ATOM 538 CB VAL A 31 -1.559 12.402 -3.045 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.388 12.908 -1.882 1.00 0.00 C ATOM 540 CG2 VAL A 31 -0.916 13.557 -3.809 1.00 0.00 C ATOM 0 H VAL A 31 -2.063 10.083 -1.994 1.00 0.00 H new ATOM 0 HA VAL A 31 0.105 11.144 -3.504 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.247 11.892 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.109 13.643 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.918 12.074 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.734 13.372 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.683 14.277 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.177 14.046 -3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.428 13.174 -4.705 1.00 0.00 H new ATOM 550 N GLU A 32 0.281 11.402 -0.288 1.00 0.00 N ATOM 551 CA GLU A 32 1.177 11.833 0.750 1.00 0.00 C ATOM 552 C GLU A 32 2.338 10.869 0.837 1.00 0.00 C ATOM 553 O GLU A 32 3.459 11.248 1.163 1.00 0.00 O ATOM 554 CB GLU A 32 0.478 11.992 2.114 1.00 0.00 C ATOM 555 CG GLU A 32 -0.230 10.756 2.624 1.00 0.00 C ATOM 556 CD GLU A 32 -0.728 10.910 4.034 1.00 0.00 C ATOM 557 OE1 GLU A 32 -1.632 11.732 4.275 1.00 0.00 O ATOM 558 OE2 GLU A 32 -0.235 10.188 4.929 1.00 0.00 O ATOM 0 H GLU A 32 -0.442 10.742 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 32 1.544 12.825 0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.221 12.296 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.248 12.802 2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.071 10.529 1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.451 9.906 2.575 1.00 0.00 H new ATOM 565 N VAL A 33 2.078 9.634 0.469 1.00 0.00 N ATOM 566 CA VAL A 33 3.050 8.590 0.586 1.00 0.00 C ATOM 567 C VAL A 33 4.130 8.722 -0.491 1.00 0.00 C ATOM 568 O VAL A 33 5.291 8.487 -0.239 1.00 0.00 O ATOM 569 CB VAL A 33 2.374 7.195 0.563 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.239 6.579 -0.823 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.041 6.283 1.510 1.00 0.00 C ATOM 0 H VAL A 33 1.184 9.333 0.081 1.00 0.00 H new ATOM 0 HA VAL A 33 3.545 8.692 1.552 1.00 0.00 H new ATOM 0 HB VAL A 33 1.346 7.354 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.756 5.605 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.637 7.232 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.228 6.458 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.554 5.308 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.089 6.173 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.974 6.692 2.518 1.00 0.00 H new ATOM 581 N LEU A 34 3.741 9.189 -1.669 1.00 0.00 N ATOM 582 CA LEU A 34 4.677 9.373 -2.774 1.00 0.00 C ATOM 583 C LEU A 34 5.546 10.589 -2.527 1.00 0.00 C ATOM 584 O LEU A 34 6.492 10.864 -3.282 1.00 0.00 O ATOM 585 CB LEU A 34 3.934 9.542 -4.104 1.00 0.00 C ATOM 586 CG LEU A 34 3.043 8.386 -4.558 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.347 8.746 -5.846 1.00 0.00 C ATOM 588 CD2 LEU A 34 3.856 7.134 -4.759 1.00 0.00 C ATOM 0 H LEU A 34 2.779 9.449 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 34 5.302 8.482 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.316 10.437 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.674 9.725 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 34 2.300 8.202 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.714 7.916 -6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.732 9.633 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.090 8.949 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.202 6.324 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.616 7.312 -5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.339 6.859 -3.821 1.00 0.00 H new ATOM 600 N GLU A 35 5.217 11.321 -1.492 1.00 0.00 N ATOM 601 CA GLU A 35 5.952 12.482 -1.137 1.00 0.00 C ATOM 602 C GLU A 35 6.848 12.158 0.059 1.00 0.00 C ATOM 603 O GLU A 35 7.967 12.662 0.174 1.00 0.00 O ATOM 604 CB GLU A 35 4.992 13.625 -0.799 1.00 0.00 C ATOM 605 CG GLU A 35 5.619 14.995 -0.913 1.00 0.00 C ATOM 606 CD GLU A 35 6.068 15.268 -2.327 1.00 0.00 C ATOM 607 OE1 GLU A 35 7.168 14.845 -2.708 1.00 0.00 O ATOM 608 OE2 GLU A 35 5.306 15.880 -3.104 1.00 0.00 O ATOM 0 H GLU A 35 4.428 11.118 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 35 6.574 12.797 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.130 13.573 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.620 13.488 0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.901 15.754 -0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.471 15.066 -0.237 1.00 0.00 H new ATOM 615 N SER A 36 6.349 11.311 0.949 1.00 0.00 N ATOM 616 CA SER A 36 7.061 10.904 2.156 1.00 0.00 C ATOM 617 C SER A 36 6.517 9.544 2.657 1.00 0.00 C ATOM 618 O SER A 36 5.488 9.494 3.349 1.00 0.00 O ATOM 619 CB SER A 36 6.906 11.976 3.258 1.00 0.00 C ATOM 620 OG SER A 36 7.350 13.257 2.798 1.00 0.00 O ATOM 0 H SER A 36 5.429 10.882 0.854 1.00 0.00 H new ATOM 0 HA SER A 36 8.120 10.798 1.920 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.862 12.038 3.565 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.480 11.683 4.137 1.00 0.00 H new ATOM 0 HG SER A 36 7.240 13.918 3.513 1.00 0.00 H new ATOM 626 N PRO A 37 7.145 8.429 2.246 1.00 0.00 N ATOM 627 CA PRO A 37 6.718 7.085 2.629 1.00 0.00 C ATOM 628 C PRO A 37 7.504 6.487 3.808 1.00 0.00 C ATOM 629 O PRO A 37 7.199 5.385 4.275 1.00 0.00 O ATOM 630 CB PRO A 37 7.016 6.301 1.366 1.00 0.00 C ATOM 631 CG PRO A 37 8.258 6.932 0.821 1.00 0.00 C ATOM 632 CD PRO A 37 8.265 8.374 1.294 1.00 0.00 C ATOM 0 HA PRO A 37 5.683 7.071 2.969 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.169 5.244 1.582 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.193 6.365 0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.145 6.406 1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.270 6.883 -0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.210 8.635 1.770 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.123 9.069 0.466 1.00 0.00 H new ATOM 640 N ARG A 38 8.511 7.184 4.294 1.00 0.00 N ATOM 641 CA ARG A 38 9.308 6.634 5.364 1.00 0.00 C ATOM 642 C ARG A 38 8.715 6.996 6.701 1.00 0.00 C ATOM 643 O ARG A 38 9.079 8.003 7.323 1.00 0.00 O ATOM 644 CB ARG A 38 10.787 7.026 5.267 1.00 0.00 C ATOM 645 CG ARG A 38 11.461 6.558 3.982 1.00 0.00 C ATOM 646 CD ARG A 38 12.959 6.828 4.000 1.00 0.00 C ATOM 647 NE ARG A 38 13.638 6.098 5.088 1.00 0.00 N ATOM 648 CZ ARG A 38 14.958 6.100 5.327 1.00 0.00 C ATOM 649 NH1 ARG A 38 15.797 6.670 4.475 1.00 0.00 N ATOM 650 NH2 ARG A 38 15.439 5.477 6.398 1.00 0.00 N ATOM 0 H ARG A 38 8.790 8.111 3.972 1.00 0.00 H new ATOM 0 HA ARG A 38 9.285 5.549 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.872 8.110 5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.321 6.608 6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.285 5.491 3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.010 7.066 3.129 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.392 6.537 3.043 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.133 7.898 4.117 1.00 0.00 H new ATOM 0 HE ARG A 38 13.053 5.544 5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.441 7.113 3.628 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.799 6.666 4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.805 4.998 7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.443 5.478 6.581 1.00 0.00 H new ATOM 664 N ILE A 39 7.753 6.209 7.112 1.00 0.00 N ATOM 665 CA ILE A 39 7.050 6.436 8.338 1.00 0.00 C ATOM 666 C ILE A 39 7.276 5.240 9.238 1.00 0.00 C ATOM 667 O ILE A 39 6.576 4.237 9.124 1.00 0.00 O ATOM 668 CB ILE A 39 5.522 6.613 8.090 1.00 0.00 C ATOM 669 CG1 ILE A 39 5.268 7.650 6.977 1.00 0.00 C ATOM 670 CG2 ILE A 39 4.827 7.051 9.380 1.00 0.00 C ATOM 671 CD1 ILE A 39 3.817 7.764 6.554 1.00 0.00 C ATOM 0 H ILE A 39 7.437 5.387 6.597 1.00 0.00 H new ATOM 0 HA ILE A 39 7.423 7.351 8.799 1.00 0.00 H new ATOM 0 HB ILE A 39 5.112 5.655 7.771 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.613 8.626 7.319 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.869 7.387 6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.760 7.172 9.195 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.979 6.295 10.150 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.247 7.999 9.715 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.725 8.514 5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.471 6.801 6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.211 8.059 7.410 1.00 0.00 H new ATOM 683 N GLU A 40 8.244 5.341 10.130 1.00 0.00 N ATOM 684 CA GLU A 40 8.621 4.220 10.979 1.00 0.00 C ATOM 685 C GLU A 40 7.561 3.933 12.036 1.00 0.00 C ATOM 686 O GLU A 40 7.551 2.883 12.656 1.00 0.00 O ATOM 687 CB GLU A 40 10.049 4.397 11.552 1.00 0.00 C ATOM 688 CG GLU A 40 10.278 5.582 12.494 1.00 0.00 C ATOM 689 CD GLU A 40 9.930 5.282 13.935 1.00 0.00 C ATOM 690 OE1 GLU A 40 10.669 4.493 14.584 1.00 0.00 O ATOM 691 OE2 GLU A 40 8.942 5.833 14.457 1.00 0.00 O ATOM 0 H GLU A 40 8.787 6.190 10.288 1.00 0.00 H new ATOM 0 HA GLU A 40 8.663 3.324 10.360 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.316 3.484 12.085 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.741 4.491 10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.323 5.885 12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.681 6.428 12.153 1.00 0.00 H new ATOM 698 N ALA A 41 6.646 4.866 12.195 1.00 0.00 N ATOM 699 CA ALA A 41 5.508 4.678 13.067 1.00 0.00 C ATOM 700 C ALA A 41 4.555 3.638 12.459 1.00 0.00 C ATOM 701 O ALA A 41 3.823 2.941 13.171 1.00 0.00 O ATOM 702 CB ALA A 41 4.783 6.002 13.276 1.00 0.00 C ATOM 0 H ALA A 41 6.670 5.771 11.726 1.00 0.00 H new ATOM 0 HA ALA A 41 5.855 4.317 14.035 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.928 5.849 13.934 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.464 6.723 13.728 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.437 6.383 12.315 1.00 0.00 H new ATOM 708 N ASN A 42 4.591 3.529 11.141 1.00 0.00 N ATOM 709 CA ASN A 42 3.739 2.621 10.393 1.00 0.00 C ATOM 710 C ASN A 42 4.539 1.498 9.753 1.00 0.00 C ATOM 711 O ASN A 42 4.125 0.944 8.751 1.00 0.00 O ATOM 712 CB ASN A 42 3.012 3.404 9.308 1.00 0.00 C ATOM 713 CG ASN A 42 1.966 4.337 9.858 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.284 4.031 10.838 1.00 0.00 O ATOM 715 ND2 ASN A 42 1.875 5.494 9.286 1.00 0.00 N ATOM 0 H ASN A 42 5.221 4.076 10.554 1.00 0.00 H new ATOM 0 HA ASN A 42 3.027 2.172 11.086 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.738 3.979 8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.541 2.705 8.617 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.221 6.190 9.645 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.457 5.710 8.477 1.00 0.00 H new ATOM 722 N LYS A 43 5.679 1.173 10.321 1.00 0.00 N ATOM 723 CA LYS A 43 6.485 0.065 9.810 1.00 0.00 C ATOM 724 C LYS A 43 5.784 -1.273 10.071 1.00 0.00 C ATOM 725 O LYS A 43 5.091 -1.437 11.087 1.00 0.00 O ATOM 726 CB LYS A 43 7.891 0.080 10.431 1.00 0.00 C ATOM 727 CG LYS A 43 7.922 -0.163 11.937 1.00 0.00 C ATOM 728 CD LYS A 43 9.319 0.023 12.515 1.00 0.00 C ATOM 729 CE LYS A 43 10.325 -0.955 11.934 1.00 0.00 C ATOM 730 NZ LYS A 43 11.673 -0.748 12.502 1.00 0.00 N ATOM 0 H LYS A 43 6.074 1.650 11.131 1.00 0.00 H new ATOM 0 HA LYS A 43 6.594 0.188 8.732 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.499 -0.681 9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.356 1.043 10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.232 0.522 12.429 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.573 -1.174 12.149 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.655 1.042 12.323 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.280 -0.101 13.597 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.998 -1.976 12.133 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.364 -0.838 10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.335 -1.432 12.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.994 0.218 12.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.640 -0.884 13.533 1.00 0.00 H new ATOM 744 N LEU A 44 5.939 -2.201 9.152 1.00 0.00 N ATOM 745 CA LEU A 44 5.331 -3.497 9.288 1.00 0.00 C ATOM 746 C LEU A 44 6.202 -4.373 10.193 1.00 0.00 C ATOM 747 O LEU A 44 7.436 -4.280 10.152 1.00 0.00 O ATOM 748 CB LEU A 44 5.095 -4.127 7.905 1.00 0.00 C ATOM 749 CG LEU A 44 4.315 -5.446 7.879 1.00 0.00 C ATOM 750 CD1 LEU A 44 2.966 -5.281 8.553 1.00 0.00 C ATOM 751 CD2 LEU A 44 4.125 -5.927 6.449 1.00 0.00 C ATOM 0 H LEU A 44 6.485 -2.076 8.300 1.00 0.00 H new ATOM 0 HA LEU A 44 4.352 -3.403 9.758 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.563 -3.404 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.065 -4.295 7.436 1.00 0.00 H new ATOM 0 HG LEU A 44 4.892 -6.192 8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.427 -6.228 8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.112 -4.977 9.590 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.389 -4.519 8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.569 -6.865 6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.571 -5.178 5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.099 -6.084 5.985 1.00 0.00 H new ATOM 763 N ARG A 45 5.552 -5.247 10.965 1.00 0.00 N ATOM 764 CA ARG A 45 6.196 -6.003 12.048 1.00 0.00 C ATOM 765 C ARG A 45 7.394 -6.825 11.572 1.00 0.00 C ATOM 766 O ARG A 45 8.509 -6.668 12.071 1.00 0.00 O ATOM 767 CB ARG A 45 5.169 -6.901 12.768 1.00 0.00 C ATOM 768 CG ARG A 45 5.695 -7.524 14.059 1.00 0.00 C ATOM 769 CD ARG A 45 4.624 -8.318 14.805 1.00 0.00 C ATOM 770 NE ARG A 45 4.285 -9.605 14.173 1.00 0.00 N ATOM 771 CZ ARG A 45 3.275 -10.407 14.562 1.00 0.00 C ATOM 772 NH1 ARG A 45 2.329 -9.958 15.374 1.00 0.00 N ATOM 773 NH2 ARG A 45 3.188 -11.642 14.099 1.00 0.00 N ATOM 0 H ARG A 45 4.559 -5.453 10.858 1.00 0.00 H new ATOM 0 HA ARG A 45 6.585 -5.269 12.754 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.281 -6.311 12.995 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.859 -7.697 12.091 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.533 -8.181 13.826 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.078 -6.737 14.709 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.967 -8.504 15.823 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.721 -7.712 14.878 1.00 0.00 H new ATOM 0 HE ARG A 45 4.856 -9.910 13.385 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.361 -8.996 15.711 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.569 -10.574 15.662 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.888 -11.992 13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.421 -12.245 14.397 1.00 0.00 H new ATOM 787 N GLY A 46 7.176 -7.659 10.595 1.00 0.00 N ATOM 788 CA GLY A 46 8.241 -8.511 10.132 1.00 0.00 C ATOM 789 C GLY A 46 8.792 -8.069 8.808 1.00 0.00 C ATOM 790 O GLY A 46 9.439 -8.846 8.113 1.00 0.00 O ATOM 0 H GLY A 46 6.286 -7.769 10.108 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.042 -8.521 10.871 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.874 -9.534 10.047 1.00 0.00 H new ATOM 794 N MET A 47 8.549 -6.824 8.448 1.00 0.00 N ATOM 795 CA MET A 47 8.995 -6.310 7.165 1.00 0.00 C ATOM 796 C MET A 47 9.439 -4.866 7.272 1.00 0.00 C ATOM 797 O MET A 47 8.616 -3.956 7.214 1.00 0.00 O ATOM 798 CB MET A 47 7.898 -6.422 6.090 1.00 0.00 C ATOM 799 CG MET A 47 7.530 -7.830 5.660 1.00 0.00 C ATOM 800 SD MET A 47 8.861 -8.663 4.773 1.00 0.00 S ATOM 801 CE MET A 47 8.105 -10.262 4.489 1.00 0.00 C ATOM 0 H MET A 47 8.046 -6.149 9.024 1.00 0.00 H new ATOM 0 HA MET A 47 9.843 -6.925 6.866 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.999 -5.931 6.463 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.222 -5.867 5.209 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.265 -8.416 6.540 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.645 -7.791 5.024 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.752 -11.046 4.884 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.138 -10.302 4.991 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.964 -10.413 3.419 1.00 0.00 H new ATOM 811 N PRO A 48 10.728 -4.626 7.495 1.00 0.00 N ATOM 812 CA PRO A 48 11.277 -3.280 7.465 1.00 0.00 C ATOM 813 C PRO A 48 11.260 -2.762 6.028 1.00 0.00 C ATOM 814 O PRO A 48 11.383 -3.557 5.083 1.00 0.00 O ATOM 815 CB PRO A 48 12.720 -3.459 7.957 1.00 0.00 C ATOM 816 CG PRO A 48 12.740 -4.800 8.594 1.00 0.00 C ATOM 817 CD PRO A 48 11.752 -5.620 7.826 1.00 0.00 C ATOM 0 HA PRO A 48 10.719 -2.568 8.072 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.429 -3.403 7.131 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.995 -2.679 8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.736 -5.241 8.549 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.465 -4.739 9.647 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.195 -6.063 6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.349 -6.439 8.422 1.00 0.00 H new ATOM 825 N ASP A 49 11.055 -1.460 5.866 1.00 0.00 N ATOM 826 CA ASP A 49 10.951 -0.795 4.540 1.00 0.00 C ATOM 827 C ASP A 49 9.643 -1.131 3.847 1.00 0.00 C ATOM 828 O ASP A 49 9.414 -0.788 2.683 1.00 0.00 O ATOM 829 CB ASP A 49 12.173 -1.032 3.621 1.00 0.00 C ATOM 830 CG ASP A 49 13.369 -0.185 3.998 1.00 0.00 C ATOM 831 OD1 ASP A 49 14.119 -0.542 4.933 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.581 0.866 3.372 1.00 0.00 O ATOM 0 H ASP A 49 10.953 -0.816 6.650 1.00 0.00 H new ATOM 0 HA ASP A 49 10.954 0.275 4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.453 -2.085 3.662 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.893 -0.817 2.590 1.00 0.00 H new ATOM 837 N CYS A 50 8.779 -1.766 4.584 1.00 0.00 N ATOM 838 CA CYS A 50 7.457 -2.070 4.167 1.00 0.00 C ATOM 839 C CYS A 50 6.575 -1.434 5.212 1.00 0.00 C ATOM 840 O CYS A 50 6.853 -1.560 6.407 1.00 0.00 O ATOM 841 CB CYS A 50 7.254 -3.587 4.111 1.00 0.00 C ATOM 842 SG CYS A 50 5.672 -4.131 3.421 1.00 0.00 S ATOM 0 H CYS A 50 8.992 -2.095 5.526 1.00 0.00 H new ATOM 0 HA CYS A 50 7.232 -1.697 3.168 1.00 0.00 H new ATOM 0 HB2 CYS A 50 8.059 -4.023 3.519 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.348 -3.987 5.121 1.00 0.00 H new ATOM 0 HG CYS A 50 5.242 -3.247 2.571 1.00 0.00 H new ATOM 848 N TYR A 51 5.581 -0.704 4.793 1.00 0.00 N ATOM 849 CA TYR A 51 4.789 0.053 5.721 1.00 0.00 C ATOM 850 C TYR A 51 3.313 -0.180 5.469 1.00 0.00 C ATOM 851 O TYR A 51 2.925 -0.754 4.435 1.00 0.00 O ATOM 852 CB TYR A 51 5.142 1.556 5.637 1.00 0.00 C ATOM 853 CG TYR A 51 6.625 1.853 5.834 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.157 2.067 7.088 1.00 0.00 C ATOM 855 CD2 TYR A 51 7.489 1.878 4.756 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.510 2.297 7.266 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.837 2.113 4.919 1.00 0.00 C ATOM 858 CZ TYR A 51 9.343 2.321 6.173 1.00 0.00 C ATOM 859 OH TYR A 51 10.700 2.523 6.339 1.00 0.00 O ATOM 0 H TYR A 51 5.300 -0.617 3.816 1.00 0.00 H new ATOM 0 HA TYR A 51 5.015 -0.286 6.732 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.831 1.939 4.665 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.570 2.097 6.391 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.505 2.055 7.949 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.099 1.710 3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.909 2.457 8.257 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.492 2.133 4.060 1.00 0.00 H new ATOM 0 HH TYR A 51 11.142 2.510 5.464 1.00 0.00 H new ATOM 869 N LYS A 52 2.515 0.279 6.382 1.00 0.00 N ATOM 870 CA LYS A 52 1.091 0.074 6.382 1.00 0.00 C ATOM 871 C LYS A 52 0.380 1.409 6.595 1.00 0.00 C ATOM 872 O LYS A 52 0.940 2.325 7.191 1.00 0.00 O ATOM 873 CB LYS A 52 0.754 -0.886 7.544 1.00 0.00 C ATOM 874 CG LYS A 52 1.247 -0.347 8.893 1.00 0.00 C ATOM 875 CD LYS A 52 1.067 -1.295 10.064 1.00 0.00 C ATOM 876 CE LYS A 52 -0.384 -1.616 10.353 1.00 0.00 C ATOM 877 NZ LYS A 52 -0.519 -2.331 11.639 1.00 0.00 N ATOM 0 H LYS A 52 2.844 0.826 7.177 1.00 0.00 H new ATOM 0 HA LYS A 52 0.765 -0.347 5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.324 -1.040 7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.207 -1.859 7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.305 -0.099 8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.719 0.581 9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.604 -2.221 9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.519 -0.855 10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.966 -0.695 10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.793 -2.227 9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.233 -3.082 11.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.395 -2.753 11.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.815 -1.662 12.379 1.00 0.00 H new ATOM 891 N ILE A 53 -0.810 1.524 6.068 1.00 0.00 N ATOM 892 CA ILE A 53 -1.659 2.685 6.283 1.00 0.00 C ATOM 893 C ILE A 53 -3.046 2.145 6.561 1.00 0.00 C ATOM 894 O ILE A 53 -3.392 1.083 6.033 1.00 0.00 O ATOM 895 CB ILE A 53 -1.746 3.610 5.029 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.347 3.961 4.510 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.505 4.884 5.389 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.337 4.775 3.229 1.00 0.00 C ATOM 0 H ILE A 53 -1.229 0.812 5.470 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.247 3.281 7.097 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.277 3.079 4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.185 4.516 5.283 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.207 3.037 4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.566 5.531 4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.511 4.627 5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.981 5.406 6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.693 4.978 2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.837 4.215 2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.860 5.717 3.393 1.00 0.00 H new ATOM 910 N LYS A 54 -3.831 2.823 7.375 1.00 0.00 N ATOM 911 CA LYS A 54 -5.156 2.347 7.678 1.00 0.00 C ATOM 912 C LYS A 54 -6.164 3.482 7.834 1.00 0.00 C ATOM 913 O LYS A 54 -5.911 4.488 8.515 1.00 0.00 O ATOM 914 CB LYS A 54 -5.121 1.401 8.895 1.00 0.00 C ATOM 915 CG LYS A 54 -4.517 2.008 10.155 1.00 0.00 C ATOM 916 CD LYS A 54 -3.800 0.949 10.984 1.00 0.00 C ATOM 917 CE LYS A 54 -4.725 -0.155 11.500 1.00 0.00 C ATOM 918 NZ LYS A 54 -5.648 0.321 12.550 1.00 0.00 N ATOM 0 H LYS A 54 -3.573 3.697 7.832 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.510 1.769 6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.138 1.077 9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.553 0.510 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.816 2.797 9.882 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.303 2.471 10.752 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.012 0.499 10.380 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.315 1.431 11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.303 -0.557 10.668 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.123 -0.973 11.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.252 -0.465 12.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.100 0.681 13.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.244 1.084 12.169 1.00 0.00 H new ATOM 932 N LEU A 55 -7.269 3.317 7.144 1.00 0.00 N ATOM 933 CA LEU A 55 -8.402 4.213 7.172 1.00 0.00 C ATOM 934 C LEU A 55 -9.079 4.097 8.513 1.00 0.00 C ATOM 935 O LEU A 55 -9.645 3.040 8.842 1.00 0.00 O ATOM 936 CB LEU A 55 -9.392 3.861 6.041 1.00 0.00 C ATOM 937 CG LEU A 55 -9.129 4.455 4.638 1.00 0.00 C ATOM 938 CD1 LEU A 55 -7.732 4.178 4.124 1.00 0.00 C ATOM 939 CD2 LEU A 55 -10.144 3.925 3.648 1.00 0.00 C ATOM 0 H LEU A 55 -7.409 2.521 6.522 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.063 5.238 7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.418 2.776 5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.386 4.177 6.357 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.226 5.536 4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.613 4.622 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.001 4.611 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.575 3.101 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.949 4.350 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.068 2.839 3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.147 4.204 3.971 1.00 0.00 H new ATOM 951 N ARG A 56 -9.032 5.172 9.264 1.00 0.00 N ATOM 952 CA ARG A 56 -9.484 5.214 10.644 1.00 0.00 C ATOM 953 C ARG A 56 -10.978 4.869 10.780 1.00 0.00 C ATOM 954 O ARG A 56 -11.376 4.148 11.709 1.00 0.00 O ATOM 955 CB ARG A 56 -9.205 6.604 11.230 1.00 0.00 C ATOM 956 CG ARG A 56 -9.260 6.680 12.748 1.00 0.00 C ATOM 957 CD ARG A 56 -8.138 5.862 13.369 1.00 0.00 C ATOM 958 NE ARG A 56 -8.112 5.951 14.829 1.00 0.00 N ATOM 959 CZ ARG A 56 -7.013 5.821 15.593 1.00 0.00 C ATOM 960 NH1 ARG A 56 -5.798 5.738 15.034 1.00 0.00 N ATOM 961 NH2 ARG A 56 -7.126 5.816 16.914 1.00 0.00 N ATOM 0 H ARG A 56 -8.671 6.065 8.929 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.931 4.457 11.200 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.219 6.931 10.900 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.928 7.308 10.819 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.179 7.719 13.068 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.223 6.312 13.101 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.250 4.818 13.075 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.182 6.204 12.972 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.997 6.125 15.305 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.700 5.773 14.019 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.971 5.640 15.623 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.044 5.911 17.348 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.295 5.718 17.497 1.00 0.00 H new ATOM 975 N SER A 57 -11.784 5.355 9.865 1.00 0.00 N ATOM 976 CA SER A 57 -13.214 5.151 9.940 1.00 0.00 C ATOM 977 C SER A 57 -13.697 3.952 9.105 1.00 0.00 C ATOM 978 O SER A 57 -14.583 3.199 9.539 1.00 0.00 O ATOM 979 CB SER A 57 -13.927 6.436 9.535 1.00 0.00 C ATOM 980 OG SER A 57 -13.421 6.926 8.299 1.00 0.00 O ATOM 0 H SER A 57 -11.474 5.896 9.058 1.00 0.00 H new ATOM 0 HA SER A 57 -13.462 4.905 10.972 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.998 6.251 9.447 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.796 7.190 10.311 1.00 0.00 H new ATOM 0 HG SER A 57 -13.893 7.750 8.056 1.00 0.00 H new ATOM 986 N SER A 58 -13.124 3.770 7.924 1.00 0.00 N ATOM 987 CA SER A 58 -13.544 2.699 7.039 1.00 0.00 C ATOM 988 C SER A 58 -13.049 1.321 7.527 1.00 0.00 C ATOM 989 O SER A 58 -13.745 0.309 7.377 1.00 0.00 O ATOM 990 CB SER A 58 -13.045 2.985 5.632 1.00 0.00 C ATOM 991 OG SER A 58 -13.380 4.313 5.244 1.00 0.00 O ATOM 0 H SER A 58 -12.369 4.350 7.559 1.00 0.00 H new ATOM 0 HA SER A 58 -14.633 2.660 7.039 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.964 2.849 5.588 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.484 2.274 4.933 1.00 0.00 H new ATOM 0 HG SER A 58 -12.650 4.919 5.488 1.00 0.00 H new ATOM 997 N GLY A 59 -11.861 1.286 8.119 1.00 0.00 N ATOM 998 CA GLY A 59 -11.323 0.031 8.604 1.00 0.00 C ATOM 999 C GLY A 59 -10.543 -0.720 7.541 1.00 0.00 C ATOM 1000 O GLY A 59 -10.283 -1.919 7.679 1.00 0.00 O ATOM 0 H GLY A 59 -11.264 2.099 8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.673 0.224 9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.140 -0.596 8.961 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.178 -0.025 6.483 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.392 -0.616 5.412 1.00 0.00 C ATOM 1006 C TYR A 60 -7.949 -0.282 5.603 1.00 0.00 C ATOM 1007 O TYR A 60 -7.610 0.515 6.459 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.873 -0.154 4.035 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.122 -0.848 3.563 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.364 -0.522 4.076 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.048 -1.855 2.611 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.496 -1.176 3.653 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.176 -2.517 2.187 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.397 -2.174 2.709 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.524 -2.840 2.299 1.00 0.00 O ATOM 0 H TYR A 60 -10.414 0.957 6.339 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.521 -1.698 5.453 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.055 0.920 4.066 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.079 -0.322 3.308 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.445 0.257 4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.088 -2.123 2.196 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.460 -0.908 4.059 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.101 -3.301 1.448 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.281 -3.513 1.629 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.111 -0.883 4.835 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.709 -0.673 4.934 1.00 0.00 C ATOM 1027 C ARG A 61 -5.065 -0.848 3.581 1.00 0.00 C ATOM 1028 O ARG A 61 -5.675 -1.393 2.645 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.100 -1.657 5.933 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.245 -3.113 5.528 1.00 0.00 C ATOM 1031 CD ARG A 61 -4.733 -4.023 6.604 1.00 0.00 C ATOM 1032 NE ARG A 61 -5.495 -3.863 7.854 1.00 0.00 N ATOM 1033 CZ ARG A 61 -4.982 -3.811 9.088 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -3.666 -3.827 9.269 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -5.797 -3.742 10.147 1.00 0.00 N ATOM 0 H ARG A 61 -7.384 -1.545 4.109 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.528 0.343 5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.041 -1.428 6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.572 -1.512 6.905 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.293 -3.336 5.327 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.697 -3.293 4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.797 -5.058 6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.680 -3.813 6.789 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.509 -3.785 7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.041 -3.879 8.464 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.280 -3.787 10.212 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.808 -3.729 10.012 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.407 -3.702 11.089 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.864 -0.391 3.485 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.072 -0.505 2.310 1.00 0.00 C ATOM 1051 C LEU A 62 -1.661 -0.836 2.767 1.00 0.00 C ATOM 1052 O LEU A 62 -1.160 -0.237 3.722 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.170 0.818 1.502 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.447 0.907 0.143 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.079 2.000 -0.699 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -0.971 1.234 0.327 1.00 0.00 C ATOM 0 H LEU A 62 -3.390 0.089 4.250 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.413 -1.294 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.226 1.023 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.789 1.621 2.133 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.539 -0.061 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.567 2.062 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.132 1.770 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.993 2.955 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.487 1.290 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.871 2.192 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.497 0.454 0.923 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.069 -1.819 2.151 1.00 0.00 N ATOM 1069 CA VAL A 63 0.260 -2.279 2.505 1.00 0.00 C ATOM 1070 C VAL A 63 1.155 -2.013 1.321 1.00 0.00 C ATOM 1071 O VAL A 63 0.772 -2.319 0.192 1.00 0.00 O ATOM 1072 CB VAL A 63 0.275 -3.809 2.779 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.588 -4.245 3.419 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.919 -4.241 3.617 1.00 0.00 C ATOM 0 H VAL A 63 -1.493 -2.335 1.380 1.00 0.00 H new ATOM 0 HA VAL A 63 0.591 -1.761 3.405 1.00 0.00 H new ATOM 0 HB VAL A 63 0.194 -4.312 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.566 -5.320 3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.416 -4.005 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.722 -3.722 4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.874 -5.317 3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.899 -3.721 4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.841 -3.996 3.090 1.00 0.00 H new ATOM 1084 N TYR A 64 2.316 -1.460 1.550 1.00 0.00 N ATOM 1085 CA TYR A 64 3.215 -1.137 0.464 1.00 0.00 C ATOM 1086 C TYR A 64 4.652 -1.345 0.888 1.00 0.00 C ATOM 1087 O TYR A 64 4.932 -1.584 2.057 1.00 0.00 O ATOM 1088 CB TYR A 64 3.005 0.319 -0.009 1.00 0.00 C ATOM 1089 CG TYR A 64 3.321 1.378 1.037 1.00 0.00 C ATOM 1090 CD1 TYR A 64 2.418 1.683 2.043 1.00 0.00 C ATOM 1091 CD2 TYR A 64 4.527 2.075 1.012 1.00 0.00 C ATOM 1092 CE1 TYR A 64 2.699 2.640 2.987 1.00 0.00 C ATOM 1093 CE2 TYR A 64 4.810 3.035 1.958 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.890 3.310 2.944 1.00 0.00 C ATOM 1095 OH TYR A 64 4.161 4.269 3.895 1.00 0.00 O ATOM 0 H TYR A 64 2.666 -1.222 2.478 1.00 0.00 H new ATOM 0 HA TYR A 64 2.994 -1.805 -0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.629 0.496 -0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.969 0.438 -0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.475 1.158 2.085 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.250 1.859 0.240 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.981 2.863 3.762 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.748 3.569 1.926 1.00 0.00 H new ATOM 0 HH TYR A 64 5.116 4.488 3.876 1.00 0.00 H new ATOM 1105 N GLN A 65 5.533 -1.253 -0.052 1.00 0.00 N ATOM 1106 CA GLN A 65 6.939 -1.359 0.166 1.00 0.00 C ATOM 1107 C GLN A 65 7.607 -0.166 -0.453 1.00 0.00 C ATOM 1108 O GLN A 65 7.212 0.287 -1.537 1.00 0.00 O ATOM 1109 CB GLN A 65 7.483 -2.661 -0.427 1.00 0.00 C ATOM 1110 CG GLN A 65 9.011 -2.781 -0.406 1.00 0.00 C ATOM 1111 CD GLN A 65 9.500 -4.124 -0.892 1.00 0.00 C ATOM 1112 OE1 GLN A 65 10.569 -4.244 -1.494 1.00 0.00 O ATOM 1113 NE2 GLN A 65 8.760 -5.148 -0.592 1.00 0.00 N ATOM 0 H GLN A 65 5.285 -1.096 -1.029 1.00 0.00 H new ATOM 0 HA GLN A 65 7.147 -1.380 1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.058 -3.501 0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.139 -2.747 -1.458 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.441 -1.996 -1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.370 -2.615 0.610 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.881 -5.013 -0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.058 -6.087 -0.855 1.00 0.00 H new ATOM 1122 N VAL A 66 8.577 0.347 0.223 1.00 0.00 N ATOM 1123 CA VAL A 66 9.292 1.494 -0.244 1.00 0.00 C ATOM 1124 C VAL A 66 10.573 1.028 -0.867 1.00 0.00 C ATOM 1125 O VAL A 66 11.396 0.370 -0.217 1.00 0.00 O ATOM 1126 CB VAL A 66 9.588 2.504 0.897 1.00 0.00 C ATOM 1127 CG1 VAL A 66 10.317 3.735 0.376 1.00 0.00 C ATOM 1128 CG2 VAL A 66 8.300 2.917 1.546 1.00 0.00 C ATOM 0 H VAL A 66 8.901 -0.016 1.120 1.00 0.00 H new ATOM 0 HA VAL A 66 8.675 2.017 -0.975 1.00 0.00 H new ATOM 0 HB VAL A 66 10.233 2.014 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.508 4.421 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.264 3.434 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.702 4.232 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.507 3.626 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.653 3.386 0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.802 2.039 1.958 1.00 0.00 H new ATOM 1138 N ILE A 67 10.713 1.299 -2.117 1.00 0.00 N ATOM 1139 CA ILE A 67 11.883 0.932 -2.843 1.00 0.00 C ATOM 1140 C ILE A 67 12.652 2.210 -3.150 1.00 0.00 C ATOM 1141 O ILE A 67 12.230 2.995 -3.988 1.00 0.00 O ATOM 1142 CB ILE A 67 11.493 0.224 -4.166 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.517 -0.937 -3.889 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.738 -0.297 -4.866 1.00 0.00 C ATOM 1145 CD1 ILE A 67 10.010 -1.644 -5.131 1.00 0.00 C ATOM 0 H ILE A 67 10.011 1.788 -2.673 1.00 0.00 H new ATOM 0 HA ILE A 67 12.493 0.244 -2.257 1.00 0.00 H new ATOM 0 HB ILE A 67 10.998 0.947 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 67 11.013 -1.666 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.663 -0.552 -3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.453 -0.793 -5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.405 0.536 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.250 -1.008 -4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.330 -2.445 -4.842 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.482 -0.932 -5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.853 -2.064 -5.680 1.00 0.00 H new ATOM 1157 N ASP A 68 13.739 2.434 -2.454 1.00 0.00 N ATOM 1158 CA ASP A 68 14.524 3.653 -2.622 1.00 0.00 C ATOM 1159 C ASP A 68 15.357 3.583 -3.897 1.00 0.00 C ATOM 1160 O ASP A 68 15.558 4.593 -4.565 1.00 0.00 O ATOM 1161 CB ASP A 68 15.442 3.923 -1.403 1.00 0.00 C ATOM 1162 CG ASP A 68 16.690 3.057 -1.361 1.00 0.00 C ATOM 1163 OD1 ASP A 68 16.605 1.869 -0.977 1.00 0.00 O ATOM 1164 OD2 ASP A 68 17.771 3.554 -1.727 1.00 0.00 O ATOM 0 H ASP A 68 14.111 1.788 -1.758 1.00 0.00 H new ATOM 0 HA ASP A 68 13.820 4.481 -2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.741 4.971 -1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.870 3.762 -0.489 1.00 0.00 H new ATOM 1169 N GLU A 69 15.798 2.379 -4.260 1.00 0.00 N ATOM 1170 CA GLU A 69 16.640 2.187 -5.447 1.00 0.00 C ATOM 1171 C GLU A 69 15.898 2.526 -6.749 1.00 0.00 C ATOM 1172 O GLU A 69 16.484 3.047 -7.691 1.00 0.00 O ATOM 1173 CB GLU A 69 17.205 0.762 -5.512 1.00 0.00 C ATOM 1174 CG GLU A 69 16.147 -0.320 -5.476 1.00 0.00 C ATOM 1175 CD GLU A 69 16.679 -1.674 -5.799 1.00 0.00 C ATOM 1176 OE1 GLU A 69 17.237 -2.347 -4.910 1.00 0.00 O ATOM 1177 OE2 GLU A 69 16.550 -2.094 -6.958 1.00 0.00 O ATOM 0 H GLU A 69 15.588 1.520 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 69 17.472 2.885 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 69 17.789 0.655 -6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.890 0.615 -4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.693 -0.342 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.356 -0.069 -6.183 1.00 0.00 H new ATOM 1184 N LYS A 70 14.619 2.243 -6.789 1.00 0.00 N ATOM 1185 CA LYS A 70 13.809 2.510 -7.972 1.00 0.00 C ATOM 1186 C LYS A 70 12.954 3.739 -7.749 1.00 0.00 C ATOM 1187 O LYS A 70 12.257 4.190 -8.652 1.00 0.00 O ATOM 1188 CB LYS A 70 12.917 1.306 -8.301 1.00 0.00 C ATOM 1189 CG LYS A 70 13.668 0.052 -8.715 1.00 0.00 C ATOM 1190 CD LYS A 70 12.708 -1.099 -8.978 1.00 0.00 C ATOM 1191 CE LYS A 70 13.431 -2.344 -9.492 1.00 0.00 C ATOM 1192 NZ LYS A 70 14.435 -2.871 -8.534 1.00 0.00 N ATOM 0 H LYS A 70 14.105 1.824 -6.014 1.00 0.00 H new ATOM 0 HA LYS A 70 14.478 2.687 -8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.306 1.075 -7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.234 1.586 -9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.253 0.254 -9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.372 -0.229 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.175 -1.343 -8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.960 -0.787 -9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.697 -3.121 -9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.926 -2.107 -10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.855 -3.743 -8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.182 -2.162 -8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.973 -3.078 -7.626 1.00 0.00 H new ATOM 1206 N VAL A 71 13.051 4.273 -6.529 1.00 0.00 N ATOM 1207 CA VAL A 71 12.278 5.420 -6.039 1.00 0.00 C ATOM 1208 C VAL A 71 10.803 5.226 -6.345 1.00 0.00 C ATOM 1209 O VAL A 71 10.251 5.876 -7.209 1.00 0.00 O ATOM 1210 CB VAL A 71 12.751 6.779 -6.622 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.203 7.928 -5.803 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.250 6.853 -6.696 1.00 0.00 C ATOM 0 H VAL A 71 13.694 3.905 -5.828 1.00 0.00 H new ATOM 0 HA VAL A 71 12.443 5.460 -4.962 1.00 0.00 H new ATOM 0 HB VAL A 71 12.363 6.857 -7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.545 8.872 -6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.114 7.898 -5.817 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.555 7.843 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.547 7.817 -7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.670 6.741 -5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.623 6.054 -7.337 1.00 0.00 H new ATOM 1222 N VAL A 72 10.186 4.305 -5.673 1.00 0.00 N ATOM 1223 CA VAL A 72 8.827 3.978 -5.967 1.00 0.00 C ATOM 1224 C VAL A 72 8.126 3.383 -4.749 1.00 0.00 C ATOM 1225 O VAL A 72 8.763 2.748 -3.888 1.00 0.00 O ATOM 1226 CB VAL A 72 8.763 2.990 -7.181 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.508 1.699 -6.897 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.345 2.698 -7.591 1.00 0.00 C ATOM 0 H VAL A 72 10.604 3.765 -4.915 1.00 0.00 H new ATOM 0 HA VAL A 72 8.304 4.896 -6.233 1.00 0.00 H new ATOM 0 HB VAL A 72 9.258 3.490 -8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.440 1.041 -7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.555 1.921 -6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.065 1.206 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.345 2.009 -8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.810 2.247 -6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.851 3.626 -7.880 1.00 0.00 H new ATOM 1238 N VAL A 73 6.850 3.655 -4.648 1.00 0.00 N ATOM 1239 CA VAL A 73 6.005 3.071 -3.663 1.00 0.00 C ATOM 1240 C VAL A 73 5.269 1.937 -4.329 1.00 0.00 C ATOM 1241 O VAL A 73 4.353 2.156 -5.132 1.00 0.00 O ATOM 1242 CB VAL A 73 4.995 4.098 -3.107 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.045 3.466 -2.106 1.00 0.00 C ATOM 1244 CG2 VAL A 73 5.741 5.248 -2.477 1.00 0.00 C ATOM 0 H VAL A 73 6.368 4.306 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 73 6.602 2.720 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 73 4.391 4.467 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.350 4.220 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.487 2.664 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.615 3.059 -1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.028 5.973 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.364 4.876 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.371 5.728 -3.227 1.00 0.00 H new ATOM 1254 N PHE A 74 5.712 0.756 -4.057 1.00 0.00 N ATOM 1255 CA PHE A 74 5.144 -0.416 -4.644 1.00 0.00 C ATOM 1256 C PHE A 74 4.097 -1.004 -3.717 1.00 0.00 C ATOM 1257 O PHE A 74 4.418 -1.640 -2.720 1.00 0.00 O ATOM 1258 CB PHE A 74 6.256 -1.422 -4.985 1.00 0.00 C ATOM 1259 CG PHE A 74 5.780 -2.764 -5.466 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.772 -2.871 -6.409 1.00 0.00 C ATOM 1261 CD2 PHE A 74 6.352 -3.920 -4.970 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.347 -4.102 -6.838 1.00 0.00 C ATOM 1263 CE2 PHE A 74 5.928 -5.153 -5.401 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.924 -5.242 -6.333 1.00 0.00 C ATOM 0 H PHE A 74 6.484 0.573 -3.416 1.00 0.00 H new ATOM 0 HA PHE A 74 4.642 -0.158 -5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.896 -0.985 -5.752 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.874 -1.570 -4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.317 -1.978 -6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.141 -3.853 -4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.559 -4.175 -7.573 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.383 -6.050 -5.008 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.587 -6.211 -6.670 1.00 0.00 H new ATOM 1274 N VAL A 75 2.861 -0.735 -4.020 1.00 0.00 N ATOM 1275 CA VAL A 75 1.756 -1.215 -3.238 1.00 0.00 C ATOM 1276 C VAL A 75 1.563 -2.703 -3.466 1.00 0.00 C ATOM 1277 O VAL A 75 1.417 -3.163 -4.597 1.00 0.00 O ATOM 1278 CB VAL A 75 0.458 -0.448 -3.550 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -0.696 -0.937 -2.682 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.674 1.049 -3.369 1.00 0.00 C ATOM 0 H VAL A 75 2.587 -0.171 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 75 1.991 -1.042 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 75 0.192 -0.639 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.598 -0.376 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.867 -1.997 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.449 -0.788 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.251 1.580 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.969 1.252 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.459 1.388 -4.045 1.00 0.00 H new ATOM 1290 N ILE A 76 1.571 -3.425 -2.386 1.00 0.00 N ATOM 1291 CA ILE A 76 1.479 -4.858 -2.385 1.00 0.00 C ATOM 1292 C ILE A 76 0.018 -5.303 -2.347 1.00 0.00 C ATOM 1293 O ILE A 76 -0.416 -6.149 -3.127 1.00 0.00 O ATOM 1294 CB ILE A 76 2.183 -5.428 -1.129 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.644 -4.933 -1.023 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.124 -6.949 -1.111 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.553 -5.387 -2.145 1.00 0.00 C ATOM 0 H ILE A 76 1.644 -3.023 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 76 1.955 -5.226 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 76 1.644 -5.057 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.642 -3.843 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.061 -5.276 -0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.626 -7.322 -0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.083 -7.273 -1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.621 -7.343 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.556 -4.991 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.592 -6.476 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.167 -5.022 -3.097 1.00 0.00 H new ATOM 1309 N SER A 77 -0.735 -4.767 -1.414 1.00 0.00 N ATOM 1310 CA SER A 77 -2.109 -5.178 -1.243 1.00 0.00 C ATOM 1311 C SER A 77 -2.959 -4.027 -0.751 1.00 0.00 C ATOM 1312 O SER A 77 -2.450 -3.073 -0.163 1.00 0.00 O ATOM 1313 CB SER A 77 -2.183 -6.345 -0.250 1.00 0.00 C ATOM 1314 OG SER A 77 -1.370 -7.417 -0.685 1.00 0.00 O ATOM 0 H SER A 77 -0.420 -4.047 -0.763 1.00 0.00 H new ATOM 0 HA SER A 77 -2.495 -5.500 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.859 -6.012 0.736 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.215 -6.681 -0.150 1.00 0.00 H new ATOM 0 HG SER A 77 -1.887 -8.249 -0.664 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.239 -4.121 -1.007 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.222 -3.151 -0.597 1.00 0.00 C ATOM 1322 C VAL A 78 -6.433 -3.940 -0.129 1.00 0.00 C ATOM 1323 O VAL A 78 -6.816 -4.888 -0.788 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.660 -2.247 -1.796 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -6.758 -1.300 -1.385 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -4.489 -1.468 -2.381 1.00 0.00 C ATOM 0 H VAL A 78 -4.639 -4.903 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.809 -2.508 0.180 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.039 -2.912 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.044 -0.683 -2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.622 -1.871 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.403 -0.661 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.839 -0.854 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.058 -0.827 -1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.731 -2.165 -2.740 1.00 0.00 H new ATOM 1336 N GLY A 79 -6.982 -3.611 1.003 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.163 -4.298 1.457 1.00 0.00 C ATOM 1338 C GLY A 79 -8.207 -4.325 2.940 1.00 0.00 C ATOM 1339 O GLY A 79 -7.704 -3.424 3.574 1.00 0.00 O ATOM 0 H GLY A 79 -6.639 -2.880 1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.052 -3.801 1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.172 -5.316 1.068 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.796 -5.323 3.504 1.00 0.00 N ATOM 1344 CA LYS A 80 -8.850 -5.426 4.931 1.00 0.00 C ATOM 1345 C LYS A 80 -8.128 -6.635 5.443 1.00 0.00 C ATOM 1346 O LYS A 80 -7.967 -7.646 4.742 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.283 -5.474 5.465 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.076 -4.184 5.359 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.454 -4.315 6.017 1.00 0.00 C ATOM 1350 CE LYS A 80 -12.340 -4.641 7.507 1.00 0.00 C ATOM 1351 NZ LYS A 80 -13.655 -4.801 8.153 1.00 0.00 N ATOM 0 H LYS A 80 -9.250 -6.085 3.001 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.358 -4.523 5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.823 -6.254 4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.249 -5.772 6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.521 -3.375 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.197 -3.915 4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.008 -3.385 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.024 -5.097 5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.764 -5.558 7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.787 -3.846 8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.522 -5.021 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.197 -3.919 8.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.175 -5.577 7.695 1.00 0.00 H new ATOM 1715 N GLU B 54 -2.461 -8.234 13.716 1.00 0.00 N ATOM 1716 CA GLU B 54 -3.073 -7.959 12.429 1.00 0.00 C ATOM 1717 C GLU B 54 -1.955 -7.858 11.411 1.00 0.00 C ATOM 1718 O GLU B 54 -2.090 -8.255 10.275 1.00 0.00 O ATOM 1719 CB GLU B 54 -3.880 -6.643 12.437 1.00 0.00 C ATOM 1720 CG GLU B 54 -3.105 -5.436 12.960 1.00 0.00 C ATOM 1721 CD GLU B 54 -3.670 -4.116 12.516 1.00 0.00 C ATOM 1722 OE1 GLU B 54 -4.825 -3.792 12.844 1.00 0.00 O ATOM 1723 OE2 GLU B 54 -2.979 -3.391 11.767 1.00 0.00 O ATOM 0 HA GLU B 54 -3.772 -8.760 12.187 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -4.218 -6.431 11.423 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.772 -6.781 13.048 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -3.093 -5.468 14.049 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -2.070 -5.508 12.627 1.00 0.00 H new ATOM 1730 N ASP B 55 -0.817 -7.356 11.880 1.00 0.00 N ATOM 1731 CA ASP B 55 0.393 -7.187 11.085 1.00 0.00 C ATOM 1732 C ASP B 55 0.916 -8.515 10.653 1.00 0.00 C ATOM 1733 O ASP B 55 1.557 -8.633 9.621 1.00 0.00 O ATOM 1734 CB ASP B 55 1.453 -6.446 11.891 1.00 0.00 C ATOM 1735 CG ASP B 55 1.033 -5.050 12.200 1.00 0.00 C ATOM 1736 OD1 ASP B 55 0.303 -4.836 13.192 1.00 0.00 O ATOM 1737 OD2 ASP B 55 1.376 -4.154 11.447 1.00 0.00 O ATOM 0 H ASP B 55 -0.709 -7.048 12.846 1.00 0.00 H new ATOM 0 HA ASP B 55 0.149 -6.600 10.200 1.00 0.00 H new ATOM 0 HB2 ASP B 55 1.645 -6.983 12.820 1.00 0.00 H new ATOM 0 HB3 ASP B 55 2.389 -6.430 11.333 1.00 0.00 H new ATOM 1742 N ALA B 56 0.605 -9.519 11.438 1.00 0.00 N ATOM 1743 CA ALA B 56 0.974 -10.890 11.136 1.00 0.00 C ATOM 1744 C ALA B 56 0.312 -11.356 9.840 1.00 0.00 C ATOM 1745 O ALA B 56 0.875 -12.154 9.098 1.00 0.00 O ATOM 1746 CB ALA B 56 0.574 -11.789 12.276 1.00 0.00 C ATOM 0 H ALA B 56 0.086 -9.412 12.310 1.00 0.00 H new ATOM 0 HA ALA B 56 2.055 -10.938 11.003 1.00 0.00 H new ATOM 0 HB1 ALA B 56 0.853 -12.817 12.044 1.00 0.00 H new ATOM 0 HB2 ALA B 56 1.083 -11.471 13.186 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -0.504 -11.731 12.424 1.00 0.00 H new ATOM 1752 N GLU B 57 -0.869 -10.828 9.570 1.00 0.00 N ATOM 1753 CA GLU B 57 -1.617 -11.155 8.378 1.00 0.00 C ATOM 1754 C GLU B 57 -0.920 -10.508 7.187 1.00 0.00 C ATOM 1755 O GLU B 57 -0.655 -11.136 6.169 1.00 0.00 O ATOM 1756 CB GLU B 57 -3.036 -10.587 8.523 1.00 0.00 C ATOM 1757 CG GLU B 57 -3.956 -10.822 7.338 1.00 0.00 C ATOM 1758 CD GLU B 57 -4.351 -12.260 7.180 1.00 0.00 C ATOM 1759 OE1 GLU B 57 -3.535 -13.076 6.741 1.00 0.00 O ATOM 1760 OE2 GLU B 57 -5.510 -12.594 7.483 1.00 0.00 O ATOM 0 H GLU B 57 -1.336 -10.156 10.179 1.00 0.00 H new ATOM 0 HA GLU B 57 -1.671 -12.234 8.232 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -3.495 -11.024 9.410 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -2.963 -9.514 8.698 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -4.854 -10.215 7.456 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -3.460 -10.485 6.428 1.00 0.00 H new ATOM 1767 N LEU B 58 -0.566 -9.254 7.373 1.00 0.00 N ATOM 1768 CA LEU B 58 0.067 -8.457 6.338 1.00 0.00 C ATOM 1769 C LEU B 58 1.402 -9.039 5.915 1.00 0.00 C ATOM 1770 O LEU B 58 1.704 -9.069 4.734 1.00 0.00 O ATOM 1771 CB LEU B 58 0.254 -6.989 6.776 1.00 0.00 C ATOM 1772 CG LEU B 58 -0.990 -6.060 6.808 1.00 0.00 C ATOM 1773 CD1 LEU B 58 -2.080 -6.568 7.721 1.00 0.00 C ATOM 1774 CD2 LEU B 58 -0.583 -4.651 7.216 1.00 0.00 C ATOM 0 H LEU B 58 -0.709 -8.754 8.251 1.00 0.00 H new ATOM 0 HA LEU B 58 -0.607 -8.479 5.482 1.00 0.00 H new ATOM 0 HB2 LEU B 58 0.689 -6.994 7.775 1.00 0.00 H new ATOM 0 HB3 LEU B 58 0.989 -6.536 6.111 1.00 0.00 H new ATOM 0 HG LEU B 58 -1.401 -6.049 5.798 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -2.923 -5.877 7.701 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -2.409 -7.551 7.383 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -1.697 -6.644 8.739 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -1.464 -4.009 7.235 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -0.131 -4.676 8.207 1.00 0.00 H new ATOM 0 HD23 LEU B 58 0.137 -4.258 6.498 1.00 0.00 H new ATOM 1786 N VAL B 59 2.178 -9.540 6.876 1.00 0.00 N ATOM 1787 CA VAL B 59 3.509 -10.061 6.573 1.00 0.00 C ATOM 1788 C VAL B 59 3.452 -11.337 5.716 1.00 0.00 C ATOM 1789 O VAL B 59 4.329 -11.563 4.878 1.00 0.00 O ATOM 1790 CB VAL B 59 4.411 -10.283 7.843 1.00 0.00 C ATOM 1791 CG1 VAL B 59 4.527 -9.024 8.677 1.00 0.00 C ATOM 1792 CG2 VAL B 59 3.965 -11.467 8.684 1.00 0.00 C ATOM 0 H VAL B 59 1.912 -9.596 7.859 1.00 0.00 H new ATOM 0 HA VAL B 59 3.988 -9.276 5.988 1.00 0.00 H new ATOM 0 HB VAL B 59 5.406 -10.526 7.469 1.00 0.00 H new ATOM 0 HG11 VAL B 59 5.158 -9.219 9.544 1.00 0.00 H new ATOM 0 HG12 VAL B 59 4.971 -8.230 8.077 1.00 0.00 H new ATOM 0 HG13 VAL B 59 3.536 -8.716 9.011 1.00 0.00 H new ATOM 0 HG21 VAL B 59 4.625 -11.570 9.546 1.00 0.00 H new ATOM 0 HG22 VAL B 59 2.943 -11.305 9.027 1.00 0.00 H new ATOM 0 HG23 VAL B 59 4.007 -12.376 8.084 1.00 0.00 H new ATOM 1802 N GLU B 60 2.404 -12.143 5.882 1.00 0.00 N ATOM 1803 CA GLU B 60 2.305 -13.369 5.112 1.00 0.00 C ATOM 1804 C GLU B 60 1.739 -13.105 3.716 1.00 0.00 C ATOM 1805 O GLU B 60 2.081 -13.812 2.754 1.00 0.00 O ATOM 1806 CB GLU B 60 1.538 -14.489 5.846 1.00 0.00 C ATOM 1807 CG GLU B 60 0.100 -14.178 6.202 1.00 0.00 C ATOM 1808 CD GLU B 60 -0.605 -15.372 6.794 1.00 0.00 C ATOM 1809 OE1 GLU B 60 -1.117 -16.215 6.027 1.00 0.00 O ATOM 1810 OE2 GLU B 60 -0.645 -15.519 8.034 1.00 0.00 O ATOM 0 H GLU B 60 1.633 -11.971 6.527 1.00 0.00 H new ATOM 0 HA GLU B 60 3.323 -13.741 4.993 1.00 0.00 H new ATOM 0 HB2 GLU B 60 1.553 -15.383 5.222 1.00 0.00 H new ATOM 0 HB3 GLU B 60 2.075 -14.731 6.763 1.00 0.00 H new ATOM 0 HG2 GLU B 60 0.073 -13.352 6.912 1.00 0.00 H new ATOM 0 HG3 GLU B 60 -0.432 -13.849 5.309 1.00 0.00 H new ATOM 1817 N ILE B 61 0.903 -12.078 3.599 1.00 0.00 N ATOM 1818 CA ILE B 61 0.338 -11.698 2.312 1.00 0.00 C ATOM 1819 C ILE B 61 1.419 -11.068 1.430 1.00 0.00 C ATOM 1820 O ILE B 61 1.573 -11.432 0.250 1.00 0.00 O ATOM 1821 CB ILE B 61 -0.859 -10.706 2.463 1.00 0.00 C ATOM 1822 CG1 ILE B 61 -1.991 -11.352 3.273 1.00 0.00 C ATOM 1823 CG2 ILE B 61 -1.377 -10.261 1.089 1.00 0.00 C ATOM 1824 CD1 ILE B 61 -3.175 -10.438 3.531 1.00 0.00 C ATOM 0 H ILE B 61 0.603 -11.495 4.380 1.00 0.00 H new ATOM 0 HA ILE B 61 -0.041 -12.607 1.844 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.504 -9.825 2.997 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.340 -12.239 2.744 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -1.591 -11.688 4.230 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -2.210 -9.571 1.220 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -0.576 -9.763 0.542 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -1.713 -11.132 0.527 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.928 -10.973 4.109 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.844 -9.562 4.089 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -3.604 -10.121 2.580 1.00 0.00 H new ATOM 1836 N VAL B 62 2.203 -10.163 2.016 1.00 0.00 N ATOM 1837 CA VAL B 62 3.243 -9.469 1.280 1.00 0.00 C ATOM 1838 C VAL B 62 4.288 -10.431 0.748 1.00 0.00 C ATOM 1839 O VAL B 62 4.604 -10.390 -0.428 1.00 0.00 O ATOM 1840 CB VAL B 62 3.902 -8.261 2.063 1.00 0.00 C ATOM 1841 CG1 VAL B 62 4.501 -8.696 3.378 1.00 0.00 C ATOM 1842 CG2 VAL B 62 4.974 -7.572 1.222 1.00 0.00 C ATOM 0 H VAL B 62 2.132 -9.898 2.998 1.00 0.00 H new ATOM 0 HA VAL B 62 2.736 -9.013 0.430 1.00 0.00 H new ATOM 0 HB VAL B 62 3.098 -7.554 2.268 1.00 0.00 H new ATOM 0 HG11 VAL B 62 4.941 -7.834 3.880 1.00 0.00 H new ATOM 0 HG12 VAL B 62 3.722 -9.124 4.009 1.00 0.00 H new ATOM 0 HG13 VAL B 62 5.273 -9.444 3.197 1.00 0.00 H new ATOM 0 HG21 VAL B 62 5.407 -6.747 1.788 1.00 0.00 H new ATOM 0 HG22 VAL B 62 5.756 -8.289 0.970 1.00 0.00 H new ATOM 0 HG23 VAL B 62 4.526 -7.187 0.306 1.00 0.00 H new ATOM 1852 N LYS B 63 4.739 -11.359 1.584 1.00 0.00 N ATOM 1853 CA LYS B 63 5.781 -12.293 1.187 1.00 0.00 C ATOM 1854 C LYS B 63 5.286 -13.251 0.099 1.00 0.00 C ATOM 1855 O LYS B 63 6.084 -13.802 -0.671 1.00 0.00 O ATOM 1856 CB LYS B 63 6.330 -13.052 2.393 1.00 0.00 C ATOM 1857 CG LYS B 63 5.353 -14.011 3.051 1.00 0.00 C ATOM 1858 CD LYS B 63 5.927 -14.607 4.330 1.00 0.00 C ATOM 1859 CE LYS B 63 7.249 -15.305 4.071 1.00 0.00 C ATOM 1860 NZ LYS B 63 7.778 -15.958 5.282 1.00 0.00 N ATOM 0 H LYS B 63 4.399 -11.483 2.538 1.00 0.00 H new ATOM 0 HA LYS B 63 6.601 -11.714 0.762 1.00 0.00 H new ATOM 0 HB2 LYS B 63 7.210 -13.613 2.079 1.00 0.00 H new ATOM 0 HB3 LYS B 63 6.662 -12.328 3.138 1.00 0.00 H new ATOM 0 HG2 LYS B 63 4.425 -13.487 3.278 1.00 0.00 H new ATOM 0 HG3 LYS B 63 5.104 -14.812 2.355 1.00 0.00 H new ATOM 0 HD2 LYS B 63 6.069 -13.818 5.069 1.00 0.00 H new ATOM 0 HD3 LYS B 63 5.216 -15.316 4.754 1.00 0.00 H new ATOM 0 HE2 LYS B 63 7.117 -16.050 3.286 1.00 0.00 H new ATOM 0 HE3 LYS B 63 7.975 -14.580 3.704 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 8.682 -16.422 5.060 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 7.929 -15.244 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 7.097 -16.669 5.619 1.00 0.00 H new ATOM 1874 N GLU B 64 3.972 -13.424 0.023 1.00 0.00 N ATOM 1875 CA GLU B 64 3.372 -14.258 -0.993 1.00 0.00 C ATOM 1876 C GLU B 64 3.409 -13.567 -2.336 1.00 0.00 C ATOM 1877 O GLU B 64 3.869 -14.126 -3.325 1.00 0.00 O ATOM 1878 CB GLU B 64 1.927 -14.642 -0.636 1.00 0.00 C ATOM 1879 CG GLU B 64 1.182 -15.299 -1.796 1.00 0.00 C ATOM 1880 CD GLU B 64 -0.122 -15.940 -1.407 1.00 0.00 C ATOM 1881 OE1 GLU B 64 -0.114 -17.099 -0.929 1.00 0.00 O ATOM 1882 OE2 GLU B 64 -1.181 -15.316 -1.591 1.00 0.00 O ATOM 0 H GLU B 64 3.304 -12.992 0.661 1.00 0.00 H new ATOM 0 HA GLU B 64 3.957 -15.176 -1.047 1.00 0.00 H new ATOM 0 HB2 GLU B 64 1.937 -15.323 0.215 1.00 0.00 H new ATOM 0 HB3 GLU B 64 1.386 -13.749 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU B 64 0.990 -14.548 -2.562 1.00 0.00 H new ATOM 0 HG3 GLU B 64 1.826 -16.055 -2.245 1.00 0.00 H new ATOM 1889 N ARG B 65 2.949 -12.356 -2.362 1.00 0.00 N ATOM 1890 CA ARG B 65 2.878 -11.611 -3.594 1.00 0.00 C ATOM 1891 C ARG B 65 4.254 -11.126 -4.026 1.00 0.00 C ATOM 1892 O ARG B 65 4.515 -10.966 -5.199 1.00 0.00 O ATOM 1893 CB ARG B 65 1.931 -10.434 -3.437 1.00 0.00 C ATOM 1894 CG ARG B 65 0.482 -10.813 -3.194 1.00 0.00 C ATOM 1895 CD ARG B 65 -0.403 -9.582 -3.156 1.00 0.00 C ATOM 1896 NE ARG B 65 -1.803 -9.910 -2.852 1.00 0.00 N ATOM 1897 CZ ARG B 65 -2.864 -9.186 -3.219 1.00 0.00 C ATOM 1898 NH1 ARG B 65 -2.707 -8.102 -3.979 1.00 0.00 N ATOM 1899 NH2 ARG B 65 -4.083 -9.577 -2.851 1.00 0.00 N ATOM 0 H ARG B 65 2.613 -11.853 -1.541 1.00 0.00 H new ATOM 0 HA ARG B 65 2.498 -12.275 -4.370 1.00 0.00 H new ATOM 0 HB2 ARG B 65 2.275 -9.817 -2.607 1.00 0.00 H new ATOM 0 HB3 ARG B 65 1.986 -9.819 -4.335 1.00 0.00 H new ATOM 0 HG2 ARG B 65 0.142 -11.486 -3.981 1.00 0.00 H new ATOM 0 HG3 ARG B 65 0.397 -11.355 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG B 65 -0.024 -8.888 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG B 65 -0.352 -9.071 -4.118 1.00 0.00 H new ATOM 0 HE ARG B 65 -1.979 -10.760 -2.317 1.00 0.00 H new ATOM 0 HH11 ARG B 65 -1.774 -7.823 -4.282 1.00 0.00 H new ATOM 0 HH12 ARG B 65 -3.520 -7.552 -4.257 1.00 0.00 H new ATOM 0 HH21 ARG B 65 -4.201 -10.423 -2.293 1.00 0.00 H new ATOM 0 HH22 ARG B 65 -4.899 -9.030 -3.127 1.00 0.00 H new ATOM 1913 N LEU B 66 5.146 -10.971 -3.071 1.00 0.00 N ATOM 1914 CA LEU B 66 6.454 -10.394 -3.314 1.00 0.00 C ATOM 1915 C LEU B 66 7.376 -11.324 -4.107 1.00 0.00 C ATOM 1916 O LEU B 66 8.313 -10.860 -4.761 1.00 0.00 O ATOM 1917 CB LEU B 66 7.095 -10.029 -1.989 1.00 0.00 C ATOM 1918 CG LEU B 66 8.300 -9.106 -2.034 1.00 0.00 C ATOM 1919 CD1 LEU B 66 7.945 -7.807 -2.749 1.00 0.00 C ATOM 1920 CD2 LEU B 66 8.763 -8.821 -0.622 1.00 0.00 C ATOM 0 H LEU B 66 4.985 -11.242 -2.101 1.00 0.00 H new ATOM 0 HA LEU B 66 6.311 -9.502 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU B 66 6.335 -9.562 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU B 66 7.394 -10.952 -1.492 1.00 0.00 H new ATOM 0 HG LEU B 66 9.106 -9.590 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU B 66 8.818 -7.155 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU B 66 7.628 -8.028 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU B 66 7.135 -7.308 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU B 66 9.628 -8.159 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU B 66 7.958 -8.343 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU B 66 9.037 -9.756 -0.133 1.00 0.00 H new ATOM 1932 N ARG B 67 7.112 -12.630 -4.054 1.00 0.00 N ATOM 1933 CA ARG B 67 7.956 -13.602 -4.767 1.00 0.00 C ATOM 1934 C ARG B 67 7.858 -13.414 -6.279 1.00 0.00 C ATOM 1935 O ARG B 67 8.830 -13.619 -6.999 1.00 0.00 O ATOM 1936 CB ARG B 67 7.627 -15.060 -4.383 1.00 0.00 C ATOM 1937 CG ARG B 67 6.188 -15.462 -4.630 1.00 0.00 C ATOM 1938 CD ARG B 67 5.926 -16.927 -4.324 1.00 0.00 C ATOM 1939 NE ARG B 67 6.554 -17.822 -5.300 1.00 0.00 N ATOM 1940 CZ ARG B 67 6.172 -19.084 -5.541 1.00 0.00 C ATOM 1941 NH1 ARG B 67 5.187 -19.632 -4.836 1.00 0.00 N ATOM 1942 NH2 ARG B 67 6.767 -19.783 -6.498 1.00 0.00 N ATOM 0 H ARG B 67 6.335 -13.039 -3.535 1.00 0.00 H new ATOM 0 HA ARG B 67 8.983 -13.408 -4.457 1.00 0.00 H new ATOM 0 HB2 ARG B 67 8.280 -15.727 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG B 67 7.856 -15.206 -3.327 1.00 0.00 H new ATOM 0 HG2 ARG B 67 5.532 -14.844 -4.016 1.00 0.00 H new ATOM 0 HG3 ARG B 67 5.933 -15.261 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG B 67 6.301 -17.160 -3.327 1.00 0.00 H new ATOM 0 HD3 ARG B 67 4.851 -17.106 -4.310 1.00 0.00 H new ATOM 0 HE ARG B 67 7.341 -17.457 -5.836 1.00 0.00 H new ATOM 0 HH11 ARG B 67 4.719 -19.092 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG B 67 4.899 -20.593 -5.023 1.00 0.00 H new ATOM 0 HH21 ARG B 67 7.514 -19.360 -7.049 1.00 0.00 H new ATOM 0 HH22 ARG B 67 6.478 -20.743 -6.683 1.00 0.00 H new ATOM 1956 N ASN B 68 6.701 -12.991 -6.743 1.00 0.00 N ATOM 1957 CA ASN B 68 6.456 -12.789 -8.145 1.00 0.00 C ATOM 1958 C ASN B 68 5.176 -11.968 -8.294 1.00 0.00 C ATOM 1959 O ASN B 68 4.087 -12.521 -8.395 1.00 0.00 O ATOM 1960 CB ASN B 68 6.324 -14.141 -8.849 1.00 0.00 C ATOM 1961 CG ASN B 68 6.314 -14.020 -10.338 1.00 0.00 C ATOM 1962 OD1 ASN B 68 5.269 -13.905 -10.963 1.00 0.00 O ATOM 1963 ND2 ASN B 68 7.472 -14.049 -10.921 1.00 0.00 N ATOM 0 H ASN B 68 5.901 -12.777 -6.148 1.00 0.00 H new ATOM 0 HA ASN B 68 7.286 -12.253 -8.605 1.00 0.00 H new ATOM 0 HB2 ASN B 68 7.150 -14.785 -8.547 1.00 0.00 H new ATOM 0 HB3 ASN B 68 5.405 -14.627 -8.522 1.00 0.00 H new ATOM 0 HD21 ASN B 68 7.534 -13.975 -11.936 1.00 0.00 H new ATOM 0 HD22 ASN B 68 8.321 -14.146 -10.364 1.00 0.00 H new ATOM 1970 N PRO B 69 5.282 -10.637 -8.202 1.00 0.00 N ATOM 1971 CA PRO B 69 4.119 -9.747 -8.216 1.00 0.00 C ATOM 1972 C PRO B 69 3.662 -9.300 -9.609 1.00 0.00 C ATOM 1973 O PRO B 69 2.501 -9.505 -9.980 1.00 0.00 O ATOM 1974 CB PRO B 69 4.599 -8.524 -7.422 1.00 0.00 C ATOM 1975 CG PRO B 69 6.076 -8.724 -7.165 1.00 0.00 C ATOM 1976 CD PRO B 69 6.523 -9.885 -8.007 1.00 0.00 C ATOM 0 HA PRO B 69 3.251 -10.263 -7.806 1.00 0.00 H new ATOM 0 HB2 PRO B 69 4.425 -7.606 -7.983 1.00 0.00 H new ATOM 0 HB3 PRO B 69 4.052 -8.433 -6.484 1.00 0.00 H new ATOM 0 HG2 PRO B 69 6.636 -7.825 -7.422 1.00 0.00 H new ATOM 0 HG3 PRO B 69 6.259 -8.922 -6.109 1.00 0.00 H new ATOM 0 HD2 PRO B 69 6.951 -9.557 -8.954 1.00 0.00 H new ATOM 0 HD3 PRO B 69 7.283 -10.482 -7.503 1.00 0.00 H new ATOM 1984 N LYS B 70 4.607 -8.727 -10.374 1.00 0.00 N ATOM 1985 CA LYS B 70 4.342 -8.052 -11.659 1.00 0.00 C ATOM 1986 C LYS B 70 3.725 -6.683 -11.416 1.00 0.00 C ATOM 1987 O LYS B 70 2.510 -6.530 -11.389 1.00 0.00 O ATOM 1988 CB LYS B 70 3.520 -8.878 -12.694 1.00 0.00 C ATOM 1989 CG LYS B 70 4.307 -9.932 -13.476 1.00 0.00 C ATOM 1990 CD LYS B 70 4.966 -10.958 -12.579 1.00 0.00 C ATOM 1991 CE LYS B 70 5.734 -11.984 -13.385 1.00 0.00 C ATOM 1992 NZ LYS B 70 6.745 -11.369 -14.265 1.00 0.00 N ATOM 0 H LYS B 70 5.593 -8.719 -10.114 1.00 0.00 H new ATOM 0 HA LYS B 70 5.317 -7.939 -12.133 1.00 0.00 H new ATOM 0 HB2 LYS B 70 2.704 -9.375 -12.169 1.00 0.00 H new ATOM 0 HB3 LYS B 70 3.067 -8.187 -13.405 1.00 0.00 H new ATOM 0 HG2 LYS B 70 3.636 -10.440 -14.169 1.00 0.00 H new ATOM 0 HG3 LYS B 70 5.070 -9.437 -14.076 1.00 0.00 H new ATOM 0 HD2 LYS B 70 5.642 -10.457 -11.886 1.00 0.00 H new ATOM 0 HD3 LYS B 70 4.207 -11.459 -11.978 1.00 0.00 H new ATOM 0 HE2 LYS B 70 6.224 -12.682 -12.706 1.00 0.00 H new ATOM 0 HE3 LYS B 70 5.036 -12.564 -13.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 7.386 -12.105 -14.625 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 6.271 -10.901 -15.064 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 7.292 -10.667 -13.727 1.00 0.00 H new ATOM 2006 N PRO B 71 4.575 -5.682 -11.143 1.00 0.00 N ATOM 2007 CA PRO B 71 4.131 -4.330 -10.872 1.00 0.00 C ATOM 2008 C PRO B 71 3.828 -3.545 -12.142 1.00 0.00 C ATOM 2009 O PRO B 71 4.552 -3.637 -13.145 1.00 0.00 O ATOM 2010 CB PRO B 71 5.311 -3.709 -10.129 1.00 0.00 C ATOM 2011 CG PRO B 71 6.508 -4.426 -10.642 1.00 0.00 C ATOM 2012 CD PRO B 71 6.048 -5.797 -11.065 1.00 0.00 C ATOM 0 HA PRO B 71 3.199 -4.318 -10.307 1.00 0.00 H new ATOM 0 HB2 PRO B 71 5.379 -2.638 -10.322 1.00 0.00 H new ATOM 0 HB3 PRO B 71 5.208 -3.833 -9.051 1.00 0.00 H new ATOM 0 HG2 PRO B 71 6.949 -3.890 -11.483 1.00 0.00 H new ATOM 0 HG3 PRO B 71 7.276 -4.497 -9.871 1.00 0.00 H new ATOM 0 HD2 PRO B 71 6.476 -6.081 -12.026 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.350 -6.557 -10.345 1.00 0.00 H new ATOM 2020 N VAL B 72 2.749 -2.823 -12.103 1.00 0.00 N ATOM 2021 CA VAL B 72 2.347 -1.963 -13.169 1.00 0.00 C ATOM 2022 C VAL B 72 2.634 -0.544 -12.726 1.00 0.00 C ATOM 2023 O VAL B 72 2.078 -0.080 -11.715 1.00 0.00 O ATOM 2024 CB VAL B 72 0.831 -2.113 -13.487 1.00 0.00 C ATOM 2025 CG1 VAL B 72 0.427 -1.235 -14.669 1.00 0.00 C ATOM 2026 CG2 VAL B 72 0.476 -3.570 -13.764 1.00 0.00 C ATOM 0 H VAL B 72 2.110 -2.817 -11.308 1.00 0.00 H new ATOM 0 HA VAL B 72 2.893 -2.222 -14.076 1.00 0.00 H new ATOM 0 HB VAL B 72 0.275 -1.782 -12.610 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -0.637 -1.360 -14.868 1.00 0.00 H new ATOM 0 HG12 VAL B 72 0.631 -0.191 -14.433 1.00 0.00 H new ATOM 0 HG13 VAL B 72 0.998 -1.526 -15.551 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -0.589 -3.650 -13.984 1.00 0.00 H new ATOM 0 HG22 VAL B 72 1.051 -3.928 -14.618 1.00 0.00 H new ATOM 0 HG23 VAL B 72 0.712 -4.175 -12.888 1.00 0.00 H new ATOM 2036 N ARG B 73 3.520 0.113 -13.440 1.00 0.00 N ATOM 2037 CA ARG B 73 3.920 1.465 -13.118 1.00 0.00 C ATOM 2038 C ARG B 73 2.780 2.398 -13.502 1.00 0.00 C ATOM 2039 O ARG B 73 2.358 2.433 -14.669 1.00 0.00 O ATOM 2040 CB ARG B 73 5.209 1.813 -13.902 1.00 0.00 C ATOM 2041 CG ARG B 73 6.018 3.040 -13.417 1.00 0.00 C ATOM 2042 CD ARG B 73 5.259 4.358 -13.492 1.00 0.00 C ATOM 2043 NE ARG B 73 4.706 4.615 -14.834 1.00 0.00 N ATOM 2044 CZ ARG B 73 4.096 5.746 -15.202 1.00 0.00 C ATOM 2045 NH1 ARG B 73 4.177 6.827 -14.451 1.00 0.00 N ATOM 2046 NH2 ARG B 73 3.444 5.808 -16.347 1.00 0.00 N ATOM 0 H ARG B 73 3.984 -0.275 -14.261 1.00 0.00 H new ATOM 0 HA ARG B 73 4.129 1.570 -12.053 1.00 0.00 H new ATOM 0 HB2 ARG B 73 5.866 0.943 -13.877 1.00 0.00 H new ATOM 0 HB3 ARG B 73 4.937 1.977 -14.945 1.00 0.00 H new ATOM 0 HG2 ARG B 73 6.329 2.871 -12.386 1.00 0.00 H new ATOM 0 HG3 ARG B 73 6.926 3.122 -14.015 1.00 0.00 H new ATOM 0 HD2 ARG B 73 4.448 4.348 -12.764 1.00 0.00 H new ATOM 0 HD3 ARG B 73 5.926 5.174 -13.215 1.00 0.00 H new ATOM 0 HE ARG B 73 4.795 3.877 -15.532 1.00 0.00 H new ATOM 0 HH11 ARG B 73 4.709 6.805 -13.581 1.00 0.00 H new ATOM 0 HH12 ARG B 73 3.708 7.685 -14.740 1.00 0.00 H new ATOM 0 HH21 ARG B 73 3.404 4.991 -16.956 1.00 0.00 H new ATOM 0 HH22 ARG B 73 2.980 6.673 -16.623 1.00 0.00 H new ATOM 2060 N VAL B 74 2.295 3.146 -12.544 1.00 0.00 N ATOM 2061 CA VAL B 74 1.194 4.057 -12.756 1.00 0.00 C ATOM 2062 C VAL B 74 1.428 5.391 -12.027 1.00 0.00 C ATOM 2063 O VAL B 74 2.509 5.640 -11.445 1.00 0.00 O ATOM 2064 CB VAL B 74 -0.175 3.448 -12.280 1.00 0.00 C ATOM 2065 CG1 VAL B 74 -0.608 2.267 -13.137 1.00 0.00 C ATOM 2066 CG2 VAL B 74 -0.093 3.025 -10.831 1.00 0.00 C ATOM 0 H VAL B 74 2.653 3.142 -11.589 1.00 0.00 H new ATOM 0 HA VAL B 74 1.143 4.232 -13.831 1.00 0.00 H new ATOM 0 HB VAL B 74 -0.925 4.231 -12.389 1.00 0.00 H new ATOM 0 HG11 VAL B 74 -1.559 1.880 -12.770 1.00 0.00 H new ATOM 0 HG12 VAL B 74 -0.723 2.591 -14.171 1.00 0.00 H new ATOM 0 HG13 VAL B 74 0.147 1.483 -13.084 1.00 0.00 H new ATOM 0 HG21 VAL B 74 -1.050 2.606 -10.520 1.00 0.00 H new ATOM 0 HG22 VAL B 74 0.687 2.273 -10.715 1.00 0.00 H new ATOM 0 HG23 VAL B 74 0.143 3.891 -10.212 1.00 0.00 H new ATOM 2076 N THR B 75 0.438 6.237 -12.112 1.00 0.00 N ATOM 2077 CA THR B 75 0.379 7.508 -11.451 1.00 0.00 C ATOM 2078 C THR B 75 -0.986 7.624 -10.793 1.00 0.00 C ATOM 2079 O THR B 75 -1.874 6.820 -11.077 1.00 0.00 O ATOM 2080 CB THR B 75 0.553 8.680 -12.453 1.00 0.00 C ATOM 2081 OG1 THR B 75 -0.318 8.514 -13.585 1.00 0.00 O ATOM 2082 CG2 THR B 75 1.972 8.811 -12.920 1.00 0.00 C ATOM 0 H THR B 75 -0.392 6.046 -12.674 1.00 0.00 H new ATOM 0 HA THR B 75 1.186 7.567 -10.721 1.00 0.00 H new ATOM 0 HB THR B 75 0.286 9.595 -11.924 1.00 0.00 H new ATOM 0 HG1 THR B 75 -0.022 7.745 -14.115 1.00 0.00 H new ATOM 0 HG21 THR B 75 2.049 9.643 -13.620 1.00 0.00 H new ATOM 0 HG22 THR B 75 2.621 8.995 -12.064 1.00 0.00 H new ATOM 0 HG23 THR B 75 2.278 7.890 -13.416 1.00 0.00 H new ATOM 2090 N LEU B 76 -1.178 8.613 -9.956 1.00 0.00 N ATOM 2091 CA LEU B 76 -2.474 8.830 -9.320 1.00 0.00 C ATOM 2092 C LEU B 76 -3.401 9.487 -10.313 1.00 0.00 C ATOM 2093 O LEU B 76 -4.618 9.309 -10.275 1.00 0.00 O ATOM 2094 CB LEU B 76 -2.311 9.707 -8.087 1.00 0.00 C ATOM 2095 CG LEU B 76 -1.454 9.119 -6.985 1.00 0.00 C ATOM 2096 CD1 LEU B 76 -1.204 10.143 -5.908 1.00 0.00 C ATOM 2097 CD2 LEU B 76 -2.116 7.892 -6.390 1.00 0.00 C ATOM 0 H LEU B 76 -0.459 9.287 -9.693 1.00 0.00 H new ATOM 0 HA LEU B 76 -2.895 7.875 -9.006 1.00 0.00 H new ATOM 0 HB2 LEU B 76 -1.878 10.659 -8.393 1.00 0.00 H new ATOM 0 HB3 LEU B 76 -3.299 9.922 -7.681 1.00 0.00 H new ATOM 0 HG LEU B 76 -0.498 8.824 -7.419 1.00 0.00 H new ATOM 0 HD11 LEU B 76 -0.587 9.704 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU B 76 -0.689 11.003 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU B 76 -2.155 10.464 -5.483 1.00 0.00 H new ATOM 0 HD21 LEU B 76 -1.485 7.485 -5.600 1.00 0.00 H new ATOM 0 HD22 LEU B 76 -3.085 8.167 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU B 76 -2.255 7.141 -7.167 1.00 0.00 H new ATOM 2109 N ASP B 77 -2.785 10.214 -11.221 1.00 0.00 N ATOM 2110 CA ASP B 77 -3.450 10.911 -12.312 1.00 0.00 C ATOM 2111 C ASP B 77 -4.231 9.945 -13.205 1.00 0.00 C ATOM 2112 O ASP B 77 -5.311 10.268 -13.692 1.00 0.00 O ATOM 2113 CB ASP B 77 -2.392 11.652 -13.138 1.00 0.00 C ATOM 2114 CG ASP B 77 -2.930 12.262 -14.412 1.00 0.00 C ATOM 2115 OD1 ASP B 77 -3.514 13.357 -14.357 1.00 0.00 O ATOM 2116 OD2 ASP B 77 -2.732 11.670 -15.500 1.00 0.00 O ATOM 0 H ASP B 77 -1.773 10.343 -11.224 1.00 0.00 H new ATOM 0 HA ASP B 77 -4.167 11.617 -11.892 1.00 0.00 H new ATOM 0 HB2 ASP B 77 -1.953 12.440 -12.526 1.00 0.00 H new ATOM 0 HB3 ASP B 77 -1.589 10.959 -13.389 1.00 0.00 H new ATOM 2121 N GLU B 78 -3.697 8.759 -13.396 1.00 0.00 N ATOM 2122 CA GLU B 78 -4.336 7.787 -14.258 1.00 0.00 C ATOM 2123 C GLU B 78 -5.230 6.814 -13.483 1.00 0.00 C ATOM 2124 O GLU B 78 -5.956 6.031 -14.101 1.00 0.00 O ATOM 2125 CB GLU B 78 -3.291 7.031 -15.074 1.00 0.00 C ATOM 2126 CG GLU B 78 -2.329 6.229 -14.231 1.00 0.00 C ATOM 2127 CD GLU B 78 -1.192 5.670 -15.025 1.00 0.00 C ATOM 2128 OE1 GLU B 78 -1.327 4.588 -15.588 1.00 0.00 O ATOM 2129 OE2 GLU B 78 -0.132 6.318 -15.068 1.00 0.00 O ATOM 0 H GLU B 78 -2.826 8.444 -12.969 1.00 0.00 H new ATOM 0 HA GLU B 78 -4.986 8.338 -14.938 1.00 0.00 H new ATOM 0 HB2 GLU B 78 -3.799 6.361 -15.767 1.00 0.00 H new ATOM 0 HB3 GLU B 78 -2.727 7.744 -15.675 1.00 0.00 H new ATOM 0 HG2 GLU B 78 -1.935 6.862 -13.436 1.00 0.00 H new ATOM 0 HG3 GLU B 78 -2.867 5.412 -13.751 1.00 0.00 H new ATOM 2136 N LEU B 79 -5.181 6.852 -12.153 1.00 0.00 N ATOM 2137 CA LEU B 79 -6.004 5.951 -11.348 1.00 0.00 C ATOM 2138 C LEU B 79 -7.424 6.443 -11.295 1.00 0.00 C ATOM 2139 O LEU B 79 -7.696 7.406 -10.560 1.00 0.00 O ATOM 2140 CB LEU B 79 -5.478 5.781 -9.923 1.00 0.00 C ATOM 2141 CG LEU B 79 -4.108 5.143 -9.754 1.00 0.00 C ATOM 2142 CD1 LEU B 79 -3.809 4.966 -8.284 1.00 0.00 C ATOM 2143 CD2 LEU B 79 -4.024 3.809 -10.483 1.00 0.00 C ATOM 2144 OXT LEU B 79 -8.283 5.865 -11.981 1.00 0.00 O ATOM 0 H LEU B 79 -4.590 7.487 -11.616 1.00 0.00 H new ATOM 0 HA LEU B 79 -5.960 4.977 -11.836 1.00 0.00 H new ATOM 0 HB2 LEU B 79 -5.452 6.765 -9.454 1.00 0.00 H new ATOM 0 HB3 LEU B 79 -6.199 5.182 -9.367 1.00 0.00 H new ATOM 0 HG LEU B 79 -3.362 5.804 -10.195 1.00 0.00 H new ATOM 0 HD11 LEU B 79 -2.827 4.509 -8.165 1.00 0.00 H new ATOM 0 HD12 LEU B 79 -3.819 5.938 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU B 79 -4.565 4.323 -7.834 1.00 0.00 H new ATOM 0 HD21 LEU B 79 -3.032 3.379 -10.342 1.00 0.00 H new ATOM 0 HD22 LEU B 79 -4.775 3.128 -10.083 1.00 0.00 H new ATOM 0 HD23 LEU B 79 -4.205 3.964 -11.547 1.00 0.00 H new